CH0001 - Fundamental Aspects of Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH0001
External Subject CodeF100
Number of Credits10
LevelL3
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module introduces basic descriptions of elemental properties and the periodic table, solid and molecular structures and bonding, and relates these to the electronic structure of atoms. The mole as a unit is introduced so that a quantitative treatment of stoichiometry can be considered. Practical work introduces the use and handling of basic chemical equipment, and illustrates the behaviour of simple chemical substances.

On completion of the module a student should be able to

Knowledge

a) describe the basic physical and chemical properties of elements, compounds, mixtures, substances;

b) define the relative molecular mass and molar mass of elements and compounds and the concept of stoichiometry in chemical reactions;

c) recognise the classification of the elements in the periodic table, and be aware of the general trends across a period and down a group;

d) identify the fundamental particles in an atom and recall how each one was discovered;

e) label the quantum numbers in an atom and reproduce the electronic configuration of atoms using the aufbau principle;

f) describe the different types of bonding between atoms and molecules;

g) identify the different structures of solid materials;

h) describe how VSEPR can be used to predict shapes of molecules.

Understanding

a) carry out basic calculations on moles and molarity, and solve problems based on concentrations of masses in solutions;

b) manipulate and balance simple chemical equations;

c) predict the chemical reactivity of the elements based on their position in the periodic table;

d) demonstrate how the aufbau principle can be used to predict reactivity;

e) distinguish between ionic and covalent compounds;

f) predict properties of compounds based on an understanding of intra- and intermolecular interactions;    

g) assess the role of hydrogen bonding for influencing the properties of simple molecules.

How the module will be delivered

17 x 1h lectures, 5 x 1h seminars, 2 x 3h laboratory work, 3 x 3h workshops, blackboard electronic self tests.

Skills that will be practised and developed

The student should be able to:

a) access library resources for learning information in chemistry;

b) use chemistry web pages for accessing appropriate material;

c) carry out simple laboratory experiments, including titrations and gravimetric analysis.

How the module will be assessed

A written exam (1 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and assignments) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 30
practicals & workshops
N/A 1 N/A
Class Test 10
mid-module test
1 hrs 1 N/A
Examination - Autumn Semester 60
fundamental aspects of chemistry
1 hrs 1 N/A

Syllabus content

Lectures

Introduction to chemistry – physical/chemical properties of substances. Law of chemical change, atomic mass/relative molar mass. The concepts of the mole, molar mass and Avogadro’s number. Equations and the mole. Concentration and molarity. Titrations and standard solutions.

History and features of the Periodic Table. Groups and rows, trends in the Table. Formulae of binary compounds. Introduction to atomic structure, Dalton’s atomic theory. Electrons, atomic nucleus, nucleides and isotopes.

Introduction to ideas of quantisation and photons, atomic emission spectra, Bohr model of the atom. Quantum numbers, shapes of atomic orbitals, orbital energies. Electronic configuration of atoms – exclusion principle, Hund’s rules, aufbau principle. Periodicity of physical and chemical properties, atomic radii, ionisation energy, electronegativity. Trends in chemical properties.

Bonding in compounds - ionic and covalent. Ionic lattices, lattice energy and Born-Haber cycle. Valency. Covalent bonds as electron “sharing”, covalent bonds as overlapping atomic orbitals. Concept of dipoles in binding and van der Waals interactions. Nature of hydrogen bonds.

Covalent bonds, polarity.

Characteristic properties of covalent, metallic and ionic compounds.

Predicting Lewis structures and 3-dimentional shapes of simple molecules (VSEPR) and assessing whether molecules have permanent molecular dipole moments. Multiple bonds and hydrogen bonds.

 Practical Work & Workshops

Assembling and using glassware (a video demonstration), titrimetric exercises including use of burettes and pipettes (measurement of errors and standardisation of HCl solution), precipitation titrations including determination of relative molecular masses of unknown substances, analysis of properties-bonding relationships for a series of unknown compounds and finally prediction of molecular shapes using VSEPR (via Internet resource material).

Essential Reading and Resource List

Please see Background Reading List for an indicative list.

Background Reading and Resource List

Chemistry3, Burrows, Holman, Parsons, Pilling and Price, Oxford, 2009.

General Chemistry, P W Atkins and J A Beran, Scientific American Books, 1992.

Chemical Principles, S S Zumdahl, Houghton Mifflin Co, 1998.

Chemistry: Molecules, Matter and Change, L Jones and P W Atkins, W H Freeman & Co., 1999.

Chemistry, R Chang, McGraw Hill, 2002.

CH0002 - Thermodynamics, Kinetics & Equilibria

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH0002
External Subject CodeF170
Number of Credits10
LevelL3
Language of DeliveryEnglish
Module LeaderDr Alison Paul
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module provides the basis for a quantitative understanding of (i) the kinetic theory of gases (which is developed to consider the nature of liquids and solids); (ii) equilibria and the concepts of the equilibrium constant and of pH; (iii) energy changes in chemical reactions and the fundamental principles of thermodynamics; (iv) the rates of chemical reactions and the concepts of the rate determining step and the activation energy.

On completion of the module a student should be able to

Knowledge:

a) explain the concept of dynamic equilibrium and define an equilibrium constant;

b) extend the concept to sparingly soluble salts and acid dissociation;

c) state Le Chatelier’s principle;

d) describe Brønsted’s theory of acids and bases and the concept of pH;

e) state the empirical laws of Gay-Lussac, Avogadro, Boyle and Charles, and their summary in the Ideal Gas Law; recognise Graham’s law;

f) be aware of intermolecular forces and how these give rise to non-ideality in gases and liquids;

g) state Dalton’s law of ideal mixtures; Raoult’s law;

h) explain enthalpy changes and use Hess’s law.

Understanding

a) calculate equilibrium constants from titration results;

b) manipulate the equation for an equilibrium constant to derive concentrations;

c) predict the effect of changes to a chemical system at equilibrium;

d) understand the principles of buffer solutions;

e) explain the concept of absolute zero and the Kelvin temperature scale;

f) discuss the assumptions in the Ideal Gas Law and describe the conditions under which it is valid, and use it to calculate gas properties;

g) calculate standard enthalpy changes and rate constants;

h) understand the factors that affect reaction rates and recognise an order of reaction.

How the module will be delivered

16 x 1h  lectures, 5 x 1h seminars, 3 x 2h workshops, and 2 x 3h practicals.

Skills that will be practised and developed

On completion of the module rhe student should:

a) be able to interpret experimental observations in terms of molecular properties of the system;

b) have an appreciation of the requirement for accuracy and precision in obtaining, recording and reporting experimental measurements;

c) have experience in using experimental data to calculate constants.

How the module will be assessed

A written exam (1 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and assignments) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 30
practicals and workshops
N/A 1 N/A
Examination - Spring Semester 60
thermodynamics kinetics & equilibria
1 hrs 1 N/A
Class Test 10
mid-module test
1 hrs 1 N/A

Syllabus content

Lectures

Equilibria and pH:

The concept of a dynamic equilibrium, the equilibrium constant, Le Chatelier's principle. The solubility constant for sparingly soluble salts. Bronsted's theory of acids and bases, the concept of pH. The acid dissociation constant, pH titrations and buffer solutions.

The Kinetic Theory of Gases:

The gas laws of Gay-Lussac, Avogadro, Boyle, Graham and Charles. Absolute zero and the Kelvin temperature scale. The ideal gas law. Non ideality in gases and liquids. Types of intermolecular forces. Dalton’s Law of ideal mixtures.

Liquids and Solids:

Intermolecular forces, vapour pressure, surface tension, Raoult’s law, phase changes.

Energy Changes in Chemical Reactions:

The concept of enthalpy. Exothermic and endothermic reactions. Hess' law and simple Born Haber cycles.

Rates of Chemical Reactions:

The concept of rate. The law of mass action, the order of reaction, the rate equation and the rate constant. Comparing experimental data with the integrated rate equations. The rate determining step. The effect of temperature on reaction rates, the Arrhenius equation and the concept of the activation energy. Catalysis.

Practical work & Workshops

These sessions provide experience in acquiring, recording and interpreting experimental data as well as reinforcing, through application, the concepts taught in the lectures. There will be a mixture of practical work in which the aim is to make and record accurate observations and ‘dry’ experiments in which the emphasis is on calculation and interpretation.

Essential Reading and Resource List

There is no essential reading for this module.  Please see Background Reading and Resource List for textbook recommendations.

Background Reading and Resource List

Chemistry3, Burrows, Holman, Parsons, Pilling and Price, Oxford, 2009.

General Chemistry, P W Atkins and J A Beran, Scientific American Books, 1992.

Chemical Principles, S S Zumdahl, Houghton Mifflin Co, 1998.

Chemistry: Molecules, Matter and Change, L Jones and P W Atkins, W H Freeman & Co., 1999.

Chemistry, R Chang, McGraw Hill, 2002.

CH0003 - Chemistry of Organic Compounds

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH0003
External Subject CodeF160
Number of Credits10
LevelL3
Language of DeliveryEnglish
Module LeaderDr James Redman
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module introduces the main types of organic compounds by reference to simple systems and to specific compounds of biological, medicinal, and dental importance. The more important reactions of each of these types are described, and are explained in terms of the electronic structure of the functional groups involved. The practical work illustrates the basic techniques involved in the preparation, isolation, and purification of organic compounds.

On completion of the module a student should be able to

Knowledge

a) identify common functional groups;

b) explain the effect of molecular mass, hydrogen-bonding and other weak interactions on physical properties;

c) state the valencies and number of non-bonded electron pairs of first row p-block elements;

d) describe the fundamental chemistry of aliphatic alcohols, halogenoalkanes, amines, carbonyl compounds, carboxylic compounds, alkenes and aromatics.

e) describe the main forms of spectroscopy and chromatography used in organic chemistry.

 Understanding

a) distinguish between feasible and unfeasible molecular formulae using valency analysis;

b) analyse simple structural diagrams and predict predominant modes of reactivity;

c) interconvert different representations of structures and deduce molecular formulae;

d) write simple chemical mechanisms for substitution reactions of alkyl halides using the curly arrow formalism;

e) draw a reaction scheme for a free radical substitution mechanism based on concepts of initiation, propagation and termination;

f) calculate chemical yields for reactions that involve multiple equivalents of reagents or an excess of one reagent.

How the module will be delivered

16 x 1h lectures, 6 x 1 h seminars, 3 x 3h workshops and 2 x 3h practicals.

Skills that will be practised and developed

The student should be able to:

a) construct simple chemical apparatus and safely use corrosive and volatile chemicals;

b) purify organic compounds by crystallisation;

c) follow written chemical instructions and report results in an appropriate style;

d) appreciate basic aspects of accuracy.

How the module will be assessed

A written exam (1 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and assignments) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 60
chemistry of organic compounds
1 hrs 1 N/A
Practical-Based Assessment 30
practicals and workshops
N/A 1 N/A
Class Test 10
mid-module test
1 hrs 1 N/A

Syllabus content

Lectures

Structure and bonding in organic compounds – valency, VSEPR, electronegativity, bond polarity.
Representing organic molecules – Lewis structures, condensed structures and skeletal formulae.
Nomenclature of simple organic compounds.
Chiral centres, enantiomers and racemic mixtures. Rotation of plane polarised light.
Organic functional groups – concept of functional groups, common functional groups.
Stable molecules vs. reactive intermediates. Carbocations, radicals and anions as reactive intermediates. Classify molecules as nucleophile or electrophile.

Alkanes –physical properties, occurrence (oil), lack of reactivity, uses as fuels, cracking, free radical substitution.
Alkenes – cis/trans isomers, occurrence – unsaturated fatty acids, addition reaction with bromine and HCl, hydrogenation, uses for making polymers.
Haloalkanes – reactions, introduction to representing mechanisms using curly arrows for SN2, elimination to alkenes, anaesthetics, ozone depletion.
Alcohols – physical properties in contrast to alkanes, dehydration to alkenes, esterification, ethers, natural occurrence (fermentation), application as fuel.
Amines – bases, conversion to amides. Natural occurrence, amino acids.
Aldehydes/ketones – DNP derivatives, tests for e.g. Tollens’, Fehling’s. Reduction with NaBH4. Carbohydrates
Carboxylic acids – acid/base chemistry, hydrogen bonding, structure of carboxylate anion, natural occurrence – vinegar, lactic acid, citric acid.
Oxidation series alcohol/aldehyde/carboxylic acid.
Carboxylic acid derivatives reactivity series.
Acid chlorides and anhydrides – use for making esters and amides.
Esters – synthesis from alcohol + carboxylic acid, hydrolysis, synthetic polyesters, occurrence as natural fragrance compounds and fatty acid esters (fats, conversion to biodiesel).
Amides – synthesis from acid chloride + amine, structure – planarity, lack of basicity, uses (e.g. nylon), natural occurrence (peptides and proteins).
Aromatic compounds – comparison of benzene with alkenes, delocalisation, substitution reaction with Br2, nitration.
Drug examples to illustrate functional group chemistry – aspirin, paracetamol.

Techniques and methods in organic chemistry – basic principles of spectroscopy for structure determination (IR, UV and NMR). Chromophores. CHN analysis, mass spectrometry and double bond equivalents. Separation techniques – filtration, solvent extraction, distillation, chromatography (thin layer and column) and recrystallisation. Melting point as an indication of purity. Calculation of percentage yield.

Practical work

Basic handling of organic substances using standard glassware. Simple preparative procedures. Recording and interpreting experimental results.

 

 

Essential Reading and Resource List

Foundations of Organic Chemistry, M. Hornby & J. Peach, Oxford University Press, ISBN 978-0-19-855680-0

Chemistry3, Introducing inorganic, organic and physical chemistry, A. Burrows, J. Holman, A. Parsons, G. Pilling, G. Price, Oxford University Press, ISBN 978-0-19-969185-2

Background Reading and Resource List

Not applicable.

CH0004 - Inorganic & Redox Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH0004
External Subject CodeF120
Number of Credits10
LevelL3
Language of DeliveryEnglish
Module LeaderDr Benson Kariuki
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module covers: some basic chemistry of hydrogen and selected elements from the periodic table; simple coordination chemistry of metal ions in solution; the ideas of oxidation and reduction in relation to oxidation state changes and electron transfer; principles and practice of quantitative analysis.

On completion of the module a student should be able to

Knowledge

a) define oxidation states for a wide variety of chemical species;

b) describe trends in the periodic table and outline characteristic traits of each group of elements including formulae, covalent and ionic compounds;

c) calculate and use moles and concentration terms;

d) define oxidation number, ionisation energy, electron affinity, effective nuclear charge, covalent and ionic radii;

e) outline the general chemical and physical properties of elements in each group and provide details of how these react with a variety of species;

f) define thermal stability and solubility and know trends of the group II carbonates and sulfates;

g) recognise that transition metal compounds are often coloured;

h) describe the chemistry of the halogen group and noble gas groups;

i) explain the term allotrope and give examples.

Understanding

a) balance chemical equations and calculate number of moles of reactants and/or products of a reaction;

b) discuss random and systematic errors of an experiment;

d) explain why the group trends exist, and the importance of the number of electrons;

e) discuss trends in ionisation enthalpies, electron affinities, covalent and ionic radii in terms of atomic structure;

f) explain how many of the elements react with other elements and compounds, particularly water and oxygen, and justify answers with illustrative examples;

g) understand the relative solubilities and thermal stabilities of Group 1 and 2 compounds;

h) summarise the complexation and coordination geometries of transition metals and describe why these species are frequently intensely coloured;

i) explain why noble gases are unreactive and why it is possible to produce fluorocompounds of these gases;

j) appreciate how different chemical species can be used to optimise yields from reactions and to minimise waste and wastage through corrosion.

How the module will be delivered

16 x 1h lectures, 5 x 1h seminars, 3 x 2h workshops and 2 x 3h practicals.

Skills that will be practised and developed

The student should be able to:

a) recognise and distinguish between the properties of the s-block, d-block and p-block elements;

b) analyse data and formulate simple theories based upon elemental electron configuration;

c) relate experimental practice and chemical concepts that underpin the chemistry of the periodic table and recognise the significance of periodic trends.

How the module will be assessed

A written exam (1 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and assignments) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 30
practicals and workshops
N/A 1 N/A
Examination - Autumn Semester 60
inorganic & redox chemistry
1 hrs 1 N/A
Class Test 10
mid-module test
1 hrs 1 N/A

Syllabus content

Lectures

Ionic and covalent bonding. Chemical formulae. Oxidation states and rules for definition.

Reduction and oxidation processes, half-reaction, and overall stoichiometry.

Types of chemical reaction.

Application of redox reaction – electrochemistry (Galvanic cells) and corrosion.

Quantitative analysis and estimation and treatment of errors.

Acids, bases and pH.

Introduction to the periodic table and the trends in properties. Ionisation energies, electron affinities, effective nuclear charge, ionic/covalent radii.

Chemical and physical properties of Group 1 and I2 elements. Reactions of these elements with water and oxygen. Solubilities of sulfates and carbonates of Group 1 and 2 elements.

The transition metals and d-block elements. Complex formation, ligands, coordination number, chelate effect and the origin of coloured species.

Elements of Groups 13 and 14. Covalency of bonds formed and the occurrence of allotropes. Group 16 and 17 and the reactivity of halogens with hydrogen. Noble gases and their non-reactivity.

Practical work

Laboratory work will include studies of Group 1 and Group 2 elements and redox titrations to determine the purity of iron.

Workshops will focus on the use of titration results for chemical analysis.

Essential Reading and Resource List

There is no essential reading for this module.  Please see Background Reading and Resource List for textbook recommendations.

Background Reading and Resource List

Chemistry3, Burrows, Holman, Parsons, Pilling and Price, Oxford, 2009.

General Chemistry, P W Atkins and J A Beran, Scientific American Books, 1992.

Chemical Principles, S S Zumdahl, Houghton Mifflin Co, 1998.

Chemistry: Molecules, Matter and Change, L Jones and P W Atkins, W H Freeman & Co., 1999.

Chemistry, R Chang, McGraw Hill, 2002.

CH2112 - Forensic Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2112
External Subject CodeF100
Number of Credits10
LevelL4
Language of DeliveryEnglish
Module LeaderDr Mark Elliott
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module introduces the fundamental, theoretical and practical concepts of forensic chemistry. It will explain some of the key concepts relating to the classification of drugs, toxicological investigations, trace and contact evidence, body fluid analyses, and the use of modern analytical instruments in forensic chemistry.

On completion of the module a student should be able to

a) describe differences between classes of drugs of abuse and be able to outline methods for their identification, including sampling techniques and presumptive tests;

b) describe what is meant by toxicology and recognise the factors that affect the toxic dose of a substance;

c) be aware of trace and contact evidence and state methods used to characterise glass, fibres, paint and hair;

d) describe how to test blood and body fluids and how to select biological samples as evidence;

e) describe modern analytical instrumentation and identify advantages and disadvantages of each;

f) understand how the laws of chemistry can be applied to forensic science and discuss how chemical properties of compounds can be used to collect evidence;

g) distinguish between the major classes of drugs and illustrate how to sample and quantify such samples;

h) discuss the problems of detection and diagnosis of poisons and appreciate how to manipulate data to provide accurate quantitative results;

i) explain how analysis of glass, fibres, paint and hair can be achieved, will be able to justify the method of analysis selected, and explain the scientific principles behind each technique;

j) discuss tests for blood, semen and saliva and contrast the techniques used with those for DNA analysis;

k) select the correct technique according to the nature of the investigation;

l) explain and evaluate the use of instrumental techniques in analysis.

How the module will be delivered

16 x 1h lectures, 5 x 3h workshops

Skills that will be practised and developed

On completion of the module a student will be able to:

a) analyse and identify simple drugs by thin-layer chromatography;

b) relate experimental practice in the laboratory to those at crime scenes;

c) recognise patterns of poisoning and evaluate analytical approaches used in forensic toxicology, with critical assessment of accuracy and suitability for purpose;

d)  differentiate between physical and chemical concepts that underpin analysis of glass, fibres, paint and hair, and recognise the significance of contamination and reliability of trace evidence;

e) appraise the validity of information from biological sources and assess critically forensic data, thus extending their understanding of the significance of principles of chemistry and science in general.

 f) use a scientific approach to investigate practical problems with an analytical aspect.

How the module will be assessed

A written exam (1 h) will test the student's knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops) will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
forensic chemistry
1 hrs 1 N/A
Written Assessment 20
workshops and assignments
N/A 1 N/A

Syllabus content

An introduction to forensic science and how chemistry is key to the success of this field. Brief introduction to drugs – cannabis, heroin, cocaine, amphetamines, LSD and barbiturates.

Identification of the drugs of abuse: schemes for identification of trace and bulk samples. Sampling techniques, presumptive tests, thin layer chromatography and instrumental techniques (GC, IR, GC-MS, GC-IR). Drug quantification.

Introduction to  toxicology. Factors affecting toxic dose – carcinogenic and mutagenic substances, age and size, state of health, history of exposure, paradoxical reactions. Chemistry of poisoning; mode of action of poisons, ingestion, metabolism and excretion. Schemes for identification.

Contact and trace evidence. Amounts of material transferred and persistence of material. Recovery of trace materials. Characterisation and comparison of glass, fibres, paint and hair.

Analysis of body fluids. Description of blood and its components. Composition and analyses/tests. Semen; saliva.

Modern analytical instrumentation. GC/HPLC, MS, GC-MS, FTIR. Description of each technique and the merits and disadvantages of each.

Essential Reading and Resource List

A up-to-date indicative reading list will be included in the Course Handbook.

Background Reading and Resource List

A up-to-date indicative reading list will be included in the Course Handbook.

CH2115 - CHEMISTRY OF THE COSMOS

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2115
External Subject CodeF100
Number of Credits10
LevelL4
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module will look at the origins of the elements from the Big Bang onwards including nuclear synthesis within stars and supernovae. The formation of the first elements and the beginning of chemistry will be followed by an examination of the abundances of the various elements in both stars and planets, including a look at the atmospheric compositions of planets with emphasis on the Earth and our solar system.  We will then take a look at how life may have evolved from the pre-biotic soup on ancient Earth (or elsewhere) and examine just what life *is* and how it may have come about with a discussion on current theories on how life may have first evolved and how early life forms may have manifested.

On completion of the module a student should be able to

  1. Discuss the emergence of the first nuclei from the Big Bang.
  2. Discuss how and where heavier nuclei are formed and explain their relative abundances.
  3. Discuss the elemental abundances on the planets of our solar system and their distribution in the core, crust, oceans and atmosphere of Earth.
  4. Briefly discuss the atmospheric and geological evolution of the Earth’s chemistry since its formation.
  5. Discuss the Goldilocks principle regarding the chemistry of earth and its ability to sustain organic life.
  6. Discuss what constitutes and life-form and the essential structural units that must be possessed. Replication, catalysis and compartmentalisation.
  7. Briefly discuss essential metabolic pathways for life.
  8. Compare and contrast current biochemical pathways and theories on prebiotic chemistry.
  9. Discuss prebiotic pathways for the formation of carbohydrates, amino acids, membranes, nucleobases and possible early redox pathways.
  10. Discuss the theory of the RNA world and the oxygen catastrophe.

How the module will be delivered

16 × 1h Lectures plus 5 × 2h Workshops

Skills that will be practised and developed

On completion of this module, a student will be able to:

  1. State the fundamental make of atoms and understand how atomic nuclei are formed;
  2. Understand the stability of nuclei and relate this to their natural abundances;
  3. Understand an overview Earth’s planetary atmosphere and how this has evolved since its formation;
  4. Understand what constitutes a lifeform and give an overview of how life evolved from the fundamental chemicals present on the ancient earth.

How the module will be assessed

A written exam (1 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and assignments) will allow the student to demonstrate his/her ability to judge and critically review relevant information. 

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 80
chemistry of the cosmos
1 hrs 1 N/A
Written Assessment 20
workshops
N/A 1 N/A

Syllabus content

Essential Reading and Resource List

Origins of Life on the Earth and in the Cosmos – Geoffrey Zubay – 2nd Edition – Harcourt Academic Press, 2000. ISBN: 0-12-781910-X

Background Reading and Resource List

Origins of Life in the Universe - Robert Jastrow and Michael R. Rampino – Cambridge University Press, 2008, ISBN 9780521532839

CH2116 - Mathematical Methods For Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2116
External Subject CodeF100
Number of Credits10
LevelL4
Language of DeliveryEnglish
Module LeaderProfessor Peter Knowles
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This is a basic module introducing the fundamental ideas and methods in mathematics needed by students of chemistry. It is designed for students whose mathematical background has not developed past GCSE or an equivalent level and will include a significant amount of practice of the theory presented. Topics include algebra, data-handling by graphical methods, indices and logarithms, simultaneous equations, trigonometry, differentiation (maxima and minima), integration (areas under curves), and errors.

On completion of the module a student should be able to

a) apply the equation for solution of quadratic equation;

b) recognise the equation of a straight line;

c)  know the rules for manipulating indices and logarithms;

d)  write down the sine and cosine rules;

e) identify and apply the appropriate rule to solve a particular triangle;

f)  list the first derivatives of standard functions;

g) appreciate that integration is the reverse of differentiation and represents the area under a curve;

h) construct a straight line graph from experimental data and measure the slope and intercept;

i) solve sets of simultaneous equations using both manipulation and graphical procedures;

j) analyse sets of experimental data to obtain the mean and standard deviation and apply the rules for combining errors;

k) apply the rules for differentiation of standard function to more complex functions;

l) find the turning points of a function and identify their type;

m) compute the indefinite integral of simple functions;

n) evaluate a definite integral and interpret it as the area under a curve.

How the module will be delivered

11 x 2h Lecture/Workshops

Skills that will be practised and developed

On completion of this module, a student will be able to:

  1. apply basic mathematical procedures to relevant problems in chemistry;
  2. identify the essential basis of simple chemical problems and represent these in mathematical form;
  3. manipulate algebraic expressions, analyse experimental data and carry out essential procedures in calculus.

How the module will be assessed

The learning outcomes will be examined by a series of workshop assignments.  There is no examination for this module.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 100
mathematical methods for chemistry
N/A 1 N/A

Syllabus content

Review of algebraic manipulation, fractions, quadratic equations. The equation for a straight line. Handling data in the form of graphs involving both straight lines and curves. Plotting experimental data in linear form. Indices and their algebraic manipulation. Logarithms, definition, rules and applications: changing logarithm bases and using logarithms with the base e. Simultaneous equations. Standard deviation, combining errors, best straight line. Trigonometry, solving triangles, right angle triangles, sines, cosines and tangents. Differentiation, the concept of rate of change, finding maxima and minima. Definite and indefinite integration.

The emphasis in the examples will be directed towards chemically important situations and applications.

Essential Reading and Resource List

An up-to-date indicative reading list will be provided in the Course Handbook.

Background Reading and Resource List

An up-to-date indicative reading list will be provided in the Course Handbook.

CH2117 - Environmental Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2117
External Subject CodeF140
Number of Credits10
LevelL4
Language of DeliveryEnglish
Module LeaderProfessor Christopher Morley
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module discusses the chemistry of the environment, including the atmosphere, hydrosphere and lithosphere. Particular attention is devoted to the causes and effects of pollution in the environment, such as smog, acid rain, global warming, ozone depletion, water pollution, and the methods used for pollution control.  Furthermore, the physical and chemical properties of water and soils are examined in detail, with particular emphasis on their environmental impact.

On completion of the module a student should be able to

describe the physical properties of the atmosphere and the differences in chemical composition of various layers;

describe the photochemistry of stratosphere;

describe ozone chemistry and the Chapman cycle;

discuss the of meteorology of the Antarctic ozone hole;

describe inorganic pollutants of the troposphere, with reference to climate change;

discuss case studies associated with photochemical smog and acid rain;

describe chemical emissions from volcanoes, and related sulfur chemistry;

describe the Miller-Urey experiment and discuss it in the context of volcanic emissions;

describe the global water cycle and the chemical composition of sea water;

discuss and compare conservative and non-conservative properties of sea water;

describe the interaction of the atmosphere with sea water and discuss its consequences;

describe the properties of the hydrosphere;

describe the properties of the lithosphere;

describe the physical properties of solis used for classification;

discuss how the chemical properties of soils can be influenced by atmospheric conditions;

explain the key chemical and physical threats to soil that have a negative environmental impact;

plan, conduct and report on an individual research assignment;

present a critical argument through a written piece of work;

plan and present a group presentation on a chosen environment-related subject.

How the module will be delivered

16 x 1h lectures, 5 x 2h workshops

Skills that will be practised and developed

Chemistry-specific skills

On completion of this module student will be able to:

  1. apply an understanding of radical chemistry to the photochemistry of atmosphere;
  2. apply an understanding of radical chemistry to elucidation of the anthropogenic pollution of the troposphere;
  3. apply of knowledge of solution chemistry to understanding the chemical composition and physical properties of sea and fresh water.

Transferable skills

This module will also:

  1. introduce and develop the use of web-based resources;
  2. develop skills in the critical analysis of data;
  3. develop essay-writing skills;
  4. develop experience of group work and presentational skills.

How the module will be assessed

A written exam (1 h) will test the student's knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and assignments) will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
environmental chemistry
1 hrs 1 N/A
Written Assessment 20
workshops and assignments
N/A 1 N/A

Syllabus content

Atmospheric chemistry

Structure and composition of the atmosphere; photochemical processes; photochemistry of the stratosphere and the ozone layer; chemistry and metereology of the Antarctic ozone hole; chemistry and photochemistry of the troposphere and inorganic pollutants; photochemical smog; acid rain; global warming.

Chemistry of volcanoes

Volcanic emissions; sulfur chemistry; Miller-Urey experiment - the origins of life?

Chemistry of sea-water

Global water cycle; chemical composition of sea-water; conservative and non-conservative properties; salinity; interaction with atmosphere: gases in sea-water.

The hydrosphere

Physical and chemical properties of water; gases in water; redox properties; buffers, pH; effect of dissolved carbonate and carbon dioxide; pollution of natural waters; eutrophication; water purification.

The lithosphere

Structures of minerals; silicates and aluminosilicates; weathering/erosion chemistry of rocks and minerals; physical and chemical properties of soils; humic substances; cation exchange capacity; reactions with acids and bases; salt-affected (salinated) solis; soil erosion and contamination.

Essential Reading and Resource List

Please see Background Reading List for an indicative list.

Background Reading and Resource List

Enviromental Chemistry ; a global perspective, 3rd Ed, G W van Loon and S J Duffy, OUP

Environmental Chemistry, 8th Ed, S E Manahan, CRC Press

Environmental Chemistry, I Williams, Wiley

Chemistry of Atmospheres, 3rd Ed, R P Wayne, OUP

CH2118 - Energy Resources and Materials

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2118
External Subject CodeF140
Number of Credits10
LevelL4
Language of DeliveryEnglish
Module LeaderDr Stuart Taylor
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module is concerned with chemical aspects of the production and utilisation of energy. It includes discussion of a range of energy sources, and the materials required for their exploitation.

On completion of the module a student should be able to

  1. carry out simple energy calculations and translate between unit types;
  2. understand the forms of energy in currently in use, their advantages, disadvantages and environmental impact;
  3. appreciate the need for alternatives, and to describe these alternatives;
  4. interconvert wavelength and energy;
  5. calculate heats of combustion of fossil fuels and organic molecules generally;
  6. calculate power outputs from different forms of alternative energy, thermal efficiency and the Carnot factor;
  7. describe the properties of nucleii and radionucleides, forms of nuclear decay, the basic concepts of fission and fusion, the operation of fission reactors and components;
  8. describe the origin of band theory in solids and use it to explain the electrical conductivity properties of solids and the influence of temperatures on these properties;
  9. distinguish between intrinsic and extrinsic semiconductors and explain what is meant by and the significance of n-type and p-type semiconductors;
  10. explain the steps that are used by the modern semiconductor industry to produce high-purity single crystal electronic grade silicon from crude silica;
  11. understand the chemical reactions used to prepare compound semiconductors and the properties of suitable precursor compounds;
  12. understand the chemical reactions that allow photoresists to be used for semiconductor manufacturing;
  13. explain the MBE and CVD processes used to prepare semiconductor materials and the way devices are prepared using these techniques;
  14. understand the principles behind simple semiconductor devices such as diodes and transistors and how they can be used in devices such as LEDs and photovoltaic cells.

How the module will be delivered

16 x 1h lectures, 5 x 3h workshops

Skills that will be practised and developed

Please see Learning Outcomes.

How the module will be assessed

A written exam (1 h) will test the student's knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and assignments) will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 20
workshops and assignments
N/A 1 N/A
Examination - Spring Semester 80
energy resources and materials
1 hrs 1 N/A

Syllabus content

Energy and Chemical Transformation

Forms of Chemical Energy, usage and environmental impact, ‘clean’ energy

Fossil fuels and alternative forms of energy

Solar energy, hydroelectric, wind power, waterpower

Nuclear fission and fusion

Hydrogen

Materials for energy utilisation – metals, semiconductors, insulators. Introduction to Band theory of solids, origin of bands and band gaps; conduction, temperature effect, introduction to Fermi level and Fermi functions.

Semiconductors – intrinsic and extrinsic, n- and p-doping. Construction of transistors and diodes and their use in semiconductor devices.

Preparation of semiconductor silicon – purification of crude silica, introduction to required degree of purity, purification to produce electronic grade polycrystalline silicon, zone refining, growth of single crystals.

MBE and CVD equipment and how they are used in the preparation of compound semiconductors.

The use of photoresists in the manufacture of semiconductor devices.

Essential Reading and Resource List

There is no essential reading for this module.  Please see Background Reading and Resource List for textbook recommendations.

Background Reading and Resource List

N. C. Norman, Periodicity and the s- and p-Block Elements, Oxford Chemistry Primers No. 51, 1997

C. Smith, Environmental Physics, Routledge, 2001

V. N. Parmon, H. Tributsch, A. V. Bridgwater, D.O. Hall (Eds.), Chemistry for the Energy Future, Blackwell Science, 1999

G-Abbas Nazri, G. Pistoia (Eds.), Lithium Batteries —  Science and Technology, Kluwer Academic/Plenum, Boston, 2004.

K.H. Lieser, Nuclear and Radiochemistry, Wiley-VCH, 2001

L. R. MacGillivray, Metal-Organic Frameworks: Design and Application, Wiley, 2001

T. Tietenberg, L. Lewis, Environmental & Natural Resource Economics, Pearson, 2015 (economical / development perspective, for further reading)

CH3101 - Foundations of Physical Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3101
External Subject CodeF170
Number of Credits20
LevelL4
Language of DeliveryEnglish
Module LeaderProfessor Peter Knowles
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

The aims of this module are to present the essential mathematical and physical background needed to explain key concepts in physical chemistry. The first part of the module therefore provides the student with the essential mathematical treatments and machinery required to understand the concepts in the latter part of the module. The module aims to provide the student with an understanding of how properties and events at the atomic level lead to changes and processes that can be measured at a macroscopic level.

On completion of the module a student should be able to

Knowledge

  1. describe Newton’s laws of motion and demonstrate their importance in conservation of momentum;
  2. distinguish between work done, energy and power, specifically knowing the importance of potential energy, kinetic energy and conservation of energy;
  3. know about the early mysteries of classical mechanics, including the nature of light, the nature of matter, UV catastrophe, and the quantum hypothesis as proposed by Planck; 
  4. relate the failings and limitations of classical mechanics to describe the properties of particles at the atomic scale;
  5. describe simple harmonic motion and the modes of oscillators for diatomic and linear triatomic molecules;
  6. describe the behaviour of gases in terms of molecular properties, recall the Ideal Gas Law, the fundamental  assumptions it makes and modifications thereto for non-ideality (van der Waals), gas diffusion and Graham’s Law;
  7. know the importance of Maxwell-Boltzman velocity and speed distributions;
  8. state the rate equation for a given reaction and distinguish between molecularity and order of reactions, recalling the integrated rate equations for 1st , 2nd and zero order reactions;
  9. describe the effect of temperature on reactions, recalling the Arrhenius equation and its relationship with the Boltzmann distribution;
  10. describe the collision theory of reaction rates and be aware of improvements to it;
  11. describe methods used to measure rates of reaction at different timescales;
  12. state the relationships between frequency, wavelength and energy, and list the regions of the electromagnetic spectrum arranged in order of energy;
  13. describe absorption and emission processes and label lines in the H atom spectrum;
  14. discuss electronic, vibrational, rotational and translational excitation of molecules and select appropriate regions of the spectrum for each;
  15. know the classification of molecules in rotational spectra;
  16. know the equations determining energy levels in a simple harmonic oscillator and for a linear rotor;
  17. describe the diffraction of light and of electrons with awareness of the wave-particle duality;
  18. state the first and second laws of thermodynamics, and be able to explain the difference between work and heat, and between reversible and non-reversible processes;
  19. define what a state function is and give examples;
  20. define the concept of enthalpy and explain how it can be measured, specifically enthalpies of fusion, sublimation, ionisation, dissociation;
  21. apply Hess’s law and use Born-Haber cycles;
  22. estimate reaction enthalpies from average bond energies;
  23. define entropy in relation to chemical reactions;
  24. explain how entropy is measured and its significance in chemical reactions;
  25. rationalise and predict the sign of an entropy change for a chemical or physical transformation;
  26. define the standard Gibbs free energy and explain its relationship to equilibrium constants.

 Understanding

  1. understand how a few basic rules or ‘laws of nature’, such as Newton’s Laws of motion, demonstrated that disparate phenomena in nature could be explained in simple terms;
  2. understand how periodic motion, a common form of mechanical behaviour, and its oscillatory characteristics, can be used to understand bonding and energy levels;
  3. understand how classical mechanics can be generally used to derive expressions for the pressure and temperature of a gas in terms of the mass and velocity of its constituents;  
  4. understand how reaction rates are dictated by concentration, reaction order and temperature;
  5. understand how spectroscopy can reveal important details of the structure of atoms and the bonding in molecules;
  6. understand how different regions of the electromagnetic spectrum yield different types of information on the properties of atoms and molecules;
  7. understand how thermodynamics is concerned with the study of macroscopic systems or bulk assembles, rather than individual molecules;
  8. understand how and why changes in entropy and enthalpy of a substance accompany changes in phases (phases equilibria).  

How the module will be delivered

33 1-hour lectures, 27 (9 x 3) hours of practical work, 4 1-hour tutorials, 4 1-hour workshops

Skills that will be practised and developed

Intellectual Skills:

The student will be able to show some experience in linking formal equations to the obserevd behaviour of matter.

Chemistry-specific skills

The student will be able to:

  1. interpret experimental observations in terms of the molecular properties of the system;
  2. use measurements of quantities such as heat, composition and pressure to determine thermodynamic parameters, and to construct simple phase diagram;
  3. use integrated rate equations, initial rates and half-lives to determine reaction orders and hence determine activation energy and pre-exponential factor from experimental data for 1st, 2nd and zero order reactions;
  4. measure and interpret electronic, vibrational and rotational spectra;
  5. obtain information on molecular properties such as bond length and bond strength from spectroscopic measurements;
  6. carry out standard experimental techniques in connection with determination of thermodynamic and electrochemical quantities;
  7. show further development in the skill of extracting fundamental information from experimental results.

Transferable skills

The student will be able to:

  1. develop an appreciation of the requirement for accuracy and precision in obtaining, recording and reporting experimental measurements;
  2. experience the use of spreadsheets to evaluate experimental data;
  3. use qualitative arguments to develop a theoretical model of a process;
  4. use quantitative measurements to verify or disprove theoretical models.

How the module will be assessed

The module will be assessed in a number of ways including coursework (class tests or workshops), formal exam in the Spring examination period, and through numerous written reports of the practical work. The tutorials will provide the platform to explore questions around the lecture material, and so to enhance the students’ understanding of the material and to link the concepts together. Transferable skills will be primarily assessed through the laboratory work. 

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 2
autumn semester tutorials
N/A 1 N/A
Written Assessment 2
spring semester tutorials
N/A 1 N/A
Written Assessment 10
january test & workshops
N/A 1 N/A
Examination - Spring Semester 60
foundations of physical chemistry
2 hrs 1 N/A
Practical-Based Assessment 13
spring semester practical
N/A 1 N/A
Practical-Based Assessment 13
autumn semester practical
N/A 1 N/A

Syllabus content

Foundations of physical chemistryI (Autumn semester)

An introduction to Physical Chemistry: the states of matter, physical state, forces, energy, pressure, temperature, amount of substance, units.

Describing motion: basic ideas, equations & principles; Vectors & scalars, types of forces, describing motion, equations of motion, projectiles, Newton’s Laws and momentum, The first law, second law, third law, impulse, conservation of momentum,  Work, energy and power,  Work done, power, kinetic energy & potential energy, interchange between KE & PE, elastic and inelastic collisions.

Circular motion & simple harmonic motion: measuring rotation and angular speed, centripetal acceleration, moving in horizontal circles, free oscillations, damped oscillations, forced oscillations, coupled oscillators and normal modes.

Introduction to chemical thermodynamics: open/closed/isolated systems; state functions; sample and molar quantities.

Energy: internal energy, work, heat and the first law; ideal gas; heat capacity; constant-pressure conditions and enthalpy; standard states.

Entropy: spontaneity, disorder and the second law; third law; variation of entropy with temperature; entropy of environment and Gibbs free energy; chemical potential; equilibrium; variation of free energy, chemical potential and equilibrium constants with pressure and temperature; phase changes.
 

Foundations of physical chemistry II (Spring semester)

Properties of Gases: ideal gas, mixtures of ideal gases, real gases, equations of state, intermolecular forces, liquefaction of gases, properties of gases at the molecular level, kinetic theory of gases, distribution of molecular speeds, diffusion, effusion.

Chemical Kinetics: experimental aspects, rate of reactions, rate laws and rate constants, determining the rate law of a reaction, integrated rate laws, half-life of a reaction, method of initial rates, temperature dependence of reaction rates (Arrhenius equation)

An introduction to spectroscopy: nature of light (wavelength, frequency and wavenumber)

Atomic spectroscopy: electronic spectrum of H atom, Bohr theory, atoms with many electrons.

Molecular rotations and vibrations: molecular spectra (vibrational, rotational, translational), classification of molecules in rotational spectra (symmetric tops, spherical tops, asymmetric tops), anharmonicity effects, Raman effect.

Electronic transitions: photo-electron spectroscopy, absorption spectroscopy, Beer-Lambert law.

Magnetic resonance: electrons and nuclei in a magnetic field (Zeeman effect), chemical shift and spin relaxation.

Essential Reading and Resource List

Please see Background Reading List for an indicative list.

Background Reading and Resource List

Elements of physical chemistry, P. Atkins, J. de Paula, 5th Ed., Oxford University Press, 2009.  ISBN 978-0-19-922672-6

Physical chemistry, K. J. Laidler, J. H. Meiser, 3rd Ed., Houghton Mifflin Co., 1999.  ISBN 0-395-91848-0

Foundations of physical chemistry, N. Lawrence, J. Wadhawan, R. Compton, Oxford Chemistry Primers, 1999.  ISBN 0-19-850462-4

Foundations of physics for chemists, G. A. D. Ritchie, D. S. Sivia, Oxford Chemistry Primers, 2000.  ISBN 0-19-850360-1

Introduction to quantum theory and atomic structure, P. A. Cox, Oxford Chemistry Primers, 1996.  ISBN 0-19-855916-X

CH3102 - Foundations of Inorganic Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3102
External Subject CodeF120
Number of Credits20
LevelL4
Language of DeliveryEnglish
Module LeaderDr Benjamin Ward
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

In this module simple models of bonding in small molecules and complexes are introduced and discussed in terms of the influence of bonding on structure. The background to the periodic table, its structure, and its use in the analysis of trends in elemental properties are reviewed.

On completion of the module a student should be able to

  1. understand the nature of atomic structure and work out electronic configurations;
  2. understand the origins of trends within the periodic table;
  3. reproduce and understand MO diagrams for homonuclear diatomics (s- and p-block);
  4. understand and use MO diagrams to predict paramagnetism/diamagetism and bond order of diatomics;
  5. appreciate the reasons for the differing strengths of chemical bonds;
  6. define electronegativity, and explain how it is estimated;
  7. summarise and illustrate the chemistry of the elements of Groups 1 and 17;
  8. state the key features of the chemistry of the d-block elements
  9. understand the various classes of ligand and how they coordinate to metal centres;
  10. explain the distinction between hard and soft Lewis acids and bases;
  11. understand the factors affecting the thermodynamic stability of complexes;
  12. outline the use of crystal field theory in interpreting simple spectroscopic, magnetic, structural and thermodynamic properties of transition metal complexes.

How the module will be delivered

33 1-hour lectures, 27 (9 x 3) hours of practical work, 4 1-hour tutorials, 2 1-hour workshops

Skills that will be practised and developed

On completion of the module, a student will be able to:

  1. use learnt periodic trends to predict differences in properties between related compounds;
  2. use the principles of VSEPR to predict the molecular structure of main group compounds;
  3. use electrode potentials to predict the relative stability of oxidation states, and the outcome of redox reactions;
  4. manipulate a range of chemicals safely with due account of their hazards, with attention to required safety protocols;
  5. prepare simple metal complexes by ligand exchange reactions, and determine composition and purity by quantitative analysis.

How the module will be assessed

Coursework (class tests or workshops) and a written exam in May/June will test the student’s knowledge, understanding, and intellectual skills, as elaborated under most of the learning outcomes. Practical work will additionally allow the student to demonstrate his/her ability to judge and critically review relevant information, and allow assessment of the final two learning outcomes.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 2
spring semester tutorials
N/A 1 N/A
Practical-Based Assessment 13
autumn semester practical
N/A 1 N/A
Practical-Based Assessment 13
spring semester practical
N/A 1 N/A
Written Assessment 10
january test & workshops
N/A 1 N/A
Written Assessment 2
autumn semester tutorials
N/A 1 N/A
Examination - Spring Semester 60
foundations of inorganic chemistry
2 hrs 1 N/A

Syllabus content

Atomic and molecular structure

Electronic structure of the atom (qualitative treatment of wavefunctions, hydrogenic atomic orbitals, quantum numbers, many electron atoms, Aufbau principle, Hund’s rules, the Pauli principle, energies of orbitals in many-electron atoms – described in terms of effective nuclear charge, penetration and shielding).

Chemical bonding: covalent vs. ionic vs. metallic bonding vs. H-bonding; Lewis structures, resonance, valence bond theory and its limitations.  Hypervalency in terms of orbital mixing.

MO theory: bonding and antibonding orbitals, energy level diagrams of H2 and 1st row diatomics (homo- and heteronuclear).

Introductory periodicity and main group chemistry

The periodic table (link to atomic structure)

Ionisation energy, electron affinity, electronegativity, atomic and ionic radii

Periodic trends in chemical and physical properties of the elements

Bond energies and non-metal chemistry

Lewis acids and Lewis bases (link to coordination chemistry)

Prediction of molecular structure by VSEPR

Chemistry of the s-block elements (Groups 1 & 2): systematic survey; trends based on increasing size and mass; liquid ammonia, crowns and cryptands (link to coordination chemisty)

Introduction to the transition elements and coordination chemistry

Transition element chemistry

Electronic configurations of neutral atoms; dn configurations of cations (and atoms in molecules)

Variation of thermodynamically most stable oxidation state with conditions (cf. main group metals)

Solution equilibria and electrode potentials; ΔG = −nFE; use of electrode potentials to estimate relative stability of oxidation states (Latimer diagrams), outcome of redox reactions; disproportionation

Trends in oxidation state stability across the series and down the groups

Redox equations

Coordination chemistry

The coordinate bond

Nomenclature

Coordination numbers and geometries; isomerism

Classification of ligands: anionic, bidentate, chelates; s- and p-bonding

Stability constants: chelate and macrocyclic effect; Irving-Williams series

HSAB classification

Crystal Field Theory

Crystal field splitting for an octahedral complex, Δo the crystal field splitting parameter

Crystal field splitting for a tetrahedral ML4 complex, Δt

High/low-spin e-configurations, spin-only magnetic moment

Spectroscopic consequences of d-orbital splitting: empirical treatment of factors affecting Δ; spectrochemical series

Thermodynamic consequences of d-orbital splitting: contribution of crystal field stabilisation energy to lattice energy, hydration energy, stability constants, etc.

Structural consequences of d-orbital splitting: ionic radii

Ligand field theory, MO description of simple complexes, pi acceptor and donor ligands, trans influence and effect

 

Essential Reading and Resource List

Inorganic Chemistry, 6th Ed, A Weller, T Overton, J Rourke and F Armstrong, OUP, 2014

Background Reading and Resource List

Chemistry3, 2nd Ed, A Burrows, J Holman, A Parsons, G Pilling and G Price, OUP, 2013

CH3104 - Introduction To The Solid State and Applications of Spectroscopy

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3104
External Subject CodeF100
Number of Credits20
LevelL4
Language of DeliveryEnglish
Module LeaderDr Stuart Taylor
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module is in two parts. The first covers common crystal forms including close packing descriptions of metallic and ionic solid state structures. Bonding in metallic and semi-conductor solids are analysed using band theory. Lattice energies of ionic solids and Born-Haber cycles, radius ratio rule, Madelung energy and the Kapustinskii equation are covered, as will the relationship of lattice energy and solubility for ionic solids. The second part of the module is an introduction to the use of spectroscopic techniques in the determination of molecular structure. The bases and simple applications of infrared, ultraviolet/visible and NMR spectroscopies and mass spectrometry are discussed.

On completion of the module a student should be able to

  1. recognise the distinctions between ionic, covalent metallic and H-bonded solids;
  2. relate the various types of solid and identify the characteristic physical properties of each;
  3. state how close-packing of spheres leads to hexagonal and cubic close packing;
  4. understand the origins of metallic conductivity, intrinsic semiconductivity and insulator behaviour of elemental solids;
  5. appreciate the 3-dimensional structure of inorganic solids;
  6. understand the nature of lattice enthalpies, and the use of Born-Haber cycles;
  7. appreciate the range and significance of lattice, solvation and formation enthalpies of inorganic species;
  8. understand the basis and simple applications of infrared and UV/visible absorption spectroscopies;
  9. understand the basis and simple applications of NMR spectroscopy;
  10. explain the meaning of the terms chemical shift and coupling, in relation to NMR spectroscopy;
  11. describe the principal components of a mass spectrometer, and major factors affecting the appearance of a mass spectrum.

How the module will be delivered

33 1-hour lectures, 27 (9 x 3) hours of practical work, 4 1-hour tutorials, 2 1-hour workshops

Skills that will be practised and developed

On completion of this module, a student will be able to:

  1. visualise 3-dimensional aspects of shape and structure;
  2. use simple graphical computer interfaces;
  3. work out coordination numbers and geometries of metal ions and non-metals in solids;
  4. use geometric analysis to understand crystal structure;
  5. solve simple problems concerning structure and shape in inorganic substances;
  6. carry out calculations involving lattice enthalpies;
  7. construct thermodynamic (Born-Haber) cycles from thermodynamic data;
  8. identify the functional groups present in a molecule from its infrared spectrum;
  9. derive information from an electronic absorption spectrum;
  10. use the Beer-Lambert law in calculations;
  11. interpret a simple 1H or 13C spectrum;
  12. elucidate molecular composition using a mass spectrum;
  13. use combined spectroscopic and analytical data in the determination of molecular structure and geometry.

How the module will be assessed

Coursework (class tests or workshops) and a written exam in May/June will test the student’s knowledge, understanding, and intellectual skills, as elaborated under most of the learning outcomes.  Practical work will additionally allow the student to demonstrate his/her ability to judge and critically review relevant information, and allow assessment of the final two learning outcomes.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 2
spring semester tutorials
N/A 1 N/A
Practical-Based Assessment 13
spring semester practical
N/A 1 N/A
Written Assessment 10
january test & workshops
N/A 1 N/A
Practical-Based Assessment 13
autumn semester practical
N/A 1 N/A
Written Assessment 2
autumn semester tutorials
N/A 1 N/A
Examination - Spring Semester 60
intro. to the solid state & applics of spectroscopy
2 hrs 1 N/A

Syllabus content

Introduction to the solid state, inc. ionic model (Autumn semester)

Crystal structure, symmetry

Description of ionic, covalent, H-bonded and metallic lattices

Close packing descriptions of metallic and ionic solid state structures

Radius ratio rule

The ionic model: lattice energies and the Born-Landé and Kapustinskii equations; use in calculations of other thermodynamic parameters, e.g. electron affinity; thermal stability of carbonates & nitrates

The solubility of ionic salts and the hydration energies of ions

Lattice energies and Born-Haber cycles

Madelung energy and Kapustinskii equation

Relationship between lattice energy and solubility

 

Introduction to spectroscopy: characterisation of molecules (Spring semester)

N.B. Fundamental concepts will be taught in CH3101

X-ray diffraction

The use of Bragg's Law in determining interatomic distances in solid crystals.

IR spectroscopy

The IR spectrum

Selection rule; quantized description

Characteristic frequencies of functional groups

Electronic spectroscopy

The UV-vis-NIR spectrum

Selection rules; quantized description

Beer-Lambert law; calculation of molar absorption coefficients

Woodward-Fieser rules for calculating wavelength of maximum absorption

NMR spectroscopy

Selection rules; quantized description

Resonant frequency; I; abundancies; Boltzmann

Scalar coupling

I = ½: 1H and 13C; decoupling

Mass Spectrometry

Ionisation techniques

Fragmentation patterns

Isotope patterns

Problem solving

Use of combined spectroscopic and analytical data in structure determination

Essential Reading and Resource List

There is no essential reading for this module.  Please see Background Reading and Resource List for textbook recommendations.

Background Reading and Resource List

L E Smart and E A Moore, Solid State Chemistry - An Introduction, 4th Edition (2012), CRC Press, ISBN 978-1-4398-4790-9

Hore, Nuclear Magnetic Resonance (Oxford Chemistry Primer)

Harwood and Claridge, Introduction to Organic Spectroscopy (Oxford Chemistry Primer)

Kemp, Organic Spectroscopy

CH3105 - Techniques and Methods in Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3105
External Subject CodeF100
Number of Credits10
LevelL4
Language of DeliveryEnglish
Module LeaderProfessor Christopher Morley
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module provides practice in essential aspects of laboratory chemistry, associated mathematical concepts, communication and study skills.

On completion of the module a student should be able to

  1. recognise and name basic types of chemical apparatus, and understand when and how they are used;
  2. represent chemical process by formulae and balanced equations;
  3. use correctly units and dimensions for range of physical quantities;
  4. understand types of titration techniques and know when each should be used;
  5. use the principles of chemical equilibria to explain experimental observations;
  6. deduce and analyse unseen redox equations;
  7. understand the concepts of precision and accuracy;
  8. understand the origin of common formulae based on their derivation from the application of mathematics to a set of assumptions and boundary conditions.

How the module will be delivered

22 2-hour lectures/workshops, 4 half-hour tutorials, 2 1-hour sessions of oral presentations

Skills that will be practised and developed

On completion of this module, a student will be able to:

  1. show an understanding of quantitative information, and use notations and symbols correctly;
  2. carry out calculations involving concentration, purity or chemical equilibrium;
  3. apply abstract mathematical concepts to practical problems in chemistry;
  4. use word processing and spreadsheet software;
  5. demonstrate basic written and oral presentation skills;
  6. use common laboratory equipment appropriately and safely;
  7. use standard formats for reporting experimental work.

How the module will be assessed

Achievement of most of the learning outcomes will be assessed by a series of workshops, consisting of short class tests. In addition students will prepare a CV, and give two oral presentations.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 100
workshops and tutorials
N/A 1 N/A

Syllabus content

General Laboratory Methods

Use of general laboratory equipment and safety considerations.

COSHH and risk assessment forms.

Units and dimensions.

Terminology of methods and techniques in quantitative manipulations.

The mole and stoichiometry.

Preparation of solutions of a given concentration.

Balancing unseen half equations and redox equations.

Titration techniques and purpose of analysis.

The nature and use of buffer solutions and indicators.

Precision and accuracy.

Significant figures, errors and their propagation.

Qualitative analysis and tests for common ions.

Mathematical Methods

Logarithms and relationship to exponents (eX and 10X): illustrated with Arrhenius equation and pKa.

Geometry: Measuring distances and angles from vectors.

Matrices for vector transformations.

Illustrated with crystal structure data, and molecular structures.

Calculus: Differentiation of common functions and their products.

Maxima and minima of functions: illustrated with atomic orbital functions and maximising production of a chemical intermediate.

Integration of common functions, use of limits.

First order differential equations: illustrated with rate equations.

Second order differential equations, solution by trial function and use of boundary conditions.

Statistics: Permutations and Combinations, distributions (Normal and Maxwell Boltzmann), taking averages and moments of distributions.

Communication and Study Skills

CV writing

Essay writing

Preparation of laboratory reports

Information retrieval

Use of scientific software (inc. drawing packages)

Oral presentation techniques

Essential Reading and Resource List

G. Doggett & M. Cockett, Maths for Chemists, 2nd Edition, Royal Society of Chemistry, 2012, ISBN 978-1-84973-359-5

Background Reading and Resource List

There is no specific background reading and resource list for this module.

CH4103 - Foundations of Organic and Biological Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH4103
External Subject CodeF160
Number of Credits20
LevelL4
Language of DeliveryEnglish
Module LeaderDr Mark Elliott
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module provides learners with the foundation of knowledge required to be able to understand the chemical behaviour of organic molecules and their relevance to biological systems. It deals with the structure, shape and reactivity of organic compounds towards different classes of reagent. General principles are used to identify systematic patterns of reactivity and the influence of structure on the properties of compounds.

On completion of the module a student should be able to

Knowledge

  1. describe the shapes of organic molecules using MO and hybridisation descriptions;
  2. recognise and draw enantiomers, diastereoisomers and E/Z (cis/trans) isomers;
  3. state and use conventions for structural representation, including stereochemistry;
  4. identify and draw common functional groups;
  5. describe reactions in terms of overall change (substitution, elimination, addition), electron-based processes (homolytic, heterolytic), and electron availability (nucleophile, electrophile);
  6. describe the general characteristics and reactivity of a range of saturated compounds;
  7. describe and draw curly arrow mechanisms for organic reactions as defined in the syllabus content.

Understanding

  1. understand the geometry of common structures using MO and hybridisation schemes;
  2. explain the principal factors determining molecular shape, including the conformation of alkanes and cyclohexane;
  3. draw and explain the conformations of simple hydrocarbons;
  4. use the concept of double bond equivalence;
  5. use the concept of resonance to discuss the stability of typical species;
  6. explain the terms transition state, intermediate, carbocation, carbanion, free-radical;
  7. relate the major reaction types to molecular structure of appropriate functional groups;
  8. understand reactions in terms of overall change (substitution, elimination, addition), electron-based processes (homolytic, heterolytic), and electron availability (nucleophile, electrophile);
  9. predict the outcome and mechanistic course of a reaction by analysis of substrate structure and reaction conditions;
  10. plan the synthesis of simply structures based on the reactions covered in the syllabus content.

How the module will be delivered

33 1-hour lectures, 27 (9 × 3) hours of laboratory work, 4 1-hour workshops, 4 1-hour tutorials

Skills that will be practised and developed

On completion of this module, students will be able to:

  1. apply the fundamentals of organic chemistry to a range of situations, including some extension to previously unseen cases;
  2. draw mechanisms for organic reactions covered within the syllabus, and extrapolate the fundamental principles to related but unseen examples;
  3. apply logical thinking to the planning of an organic synthesis, to choose appropriate strategies, reagents and reaction conditions for the chemistry covered at this level;
  4. understand and use the conventions for representation of molecular structures;
  5. set up laboratory apparatus for handling organic compounds and carry out a range of preparative and qualitative analyses of typical organic compounds;
  6. link theory and experimental practice in synthetic procedures.

How the module will be assessed

Written coursework and examinations will comprise problems based on lecture material which are extended to previously unseen molecules and reactions to enable a student to demonstrate achievement of a combination of knowledge, understanding and intellectual learning outcomes.  Learning outcomes relating to chemistry-specific practical skills will be assessed through laboratory work.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 60
foundations of organic and biological chemistry
2 hrs 1 N/A
Practical-Based Assessment 13
autumn semester practical
N/A 1 N/A
Practical-Based Assessment 13
spring semester practical
N/A 1 N/A
Written Assessment 10
january test & workshops
N/A 1 N/A
Written Assessment 2
autumn semester tutorials
N/A 1 N/A
Written Assessment 2
spring semester tutorials
N/A 1 N/A

Syllabus content

Organic structure, bonding and reactivity (Autumn semester)

Fundamentals: Structural notations – different representations of organic molecules. Nomenclature of organic compounds. Functional groups, including Nature’s building blocks. Isomers. Electronegativity and bond polarisation. Double-bond equivalents. Bonding in organic compounds – bond lengths, angles and strengths. Hybridization and molecular orbital theories of bonding. Oxidation levels in organic chemistry.

Shape and Stereochemistry: Conformations of alkanes. Newman projections. Conformation of cyclohexanes, cyclopentanes, including some fused systems. Structure and isomerism of alkenes. Classification of isomers (constitutional, configurational, enantiomers, diastereoisomers). Cahn-Ingold-Prelog rules (R/S stereochemical descriptors). Stereochemical representations of organic compounds (flying wedge and Newman projections). Axial and helical chirality. Strategies for separation of enantiomers.

Bonding and Reactive Intermediates: Conjugation and resonance. Delocalisation of π-electrons – resonance and representation of resonance. Definition of aromaticity. Molecular orbitals for ethene, butadiene. Hyperconjugation. Shape, structure and stability of carbocations, carbanions and free-radicals.

Acids and Bases: pH, pKa (making connection with carbanions).

Describing Organic Reactions: Homolytic vs heterolytic bond breaking; bond dissociation energy; enthalpy and DH; entropy and DS; Gibbs free energy and DH; equilibria; thermodynamics vs kinetics; rate laws; activation energy (Ea), the Arrhenius equation; free energy diagrams; intermediates and transition states; the Hammond postulate; nucleophiles and electrophiles; use of curly arrow to represent electron movement; curly arrows for nucleophilic attack / substitution, loss of a leaving group / elimination, proton transfers and carbocation rearrangements.

Substitution reactions: SN1 and SN2: rate laws; free energy diagrams; curly arrow pushing mechanism; molecular orbital analysis; intermediates and transition states; regioselectivity; stereoselectivity; factors that determine mechanism (substrate, nucleophile, solvent and leaving group). Synthetic analysis and strategy – how to predict which type of substitution mechanism will dominate under a given set of conditions.

Elimination reactions: E1, E1CB and E2; rate laws; free energy diagrams; curly arrow pushing mechanisms; molecular orbital analysis; intermediates and transition states; regioselectivity; stereoselectivity; factors that determine mechanism (substrate, nucleophile, solvent and leaving group); Synthetic analysis and strategy – how to predict which type of elimination mechanism will dominate under a given set of conditions.

Introduction to functional group chemistry (Spring semester)

Alkene Chemistry 1: Addition of HX to alkenes. Bromination of alkenes, including stereochemical and regiochemical consequences. Simple hydration of alkenes. Examples including cyclohexenes. Epoxidation of alkenes.

Alkyne chemistry 1: Addition to alkynes – halogenation, reduction, simple hydration. Formation and reaction of acetylide anions.

Aromatic Chemistry 1: Molecular orbitals of benzene. Electrophilic substitution (nitration, bromination, sulfonation, Friedel-Crafts), following from alkene addition, highlighting the mechanistic similarities. Regiochemical outcome of reactions, relating to the common theme of carbocation stability and resonance.

Carbonyl chemistry 1: Types of carbonyl group, oxidation level and structure and bonding. Oxidative synthesis of aldehydes, ketones and carboxylic acids. Addition reactions to aldehydes and ketones, including Bürgi-Dunitz trajectory, molecular orbital analysis and formation of stereocentres (racemates). Formation and addition of Grignard and organolithium reagents. Formation of acetals, ketals, imines and enamines. Hemi-acetals and relationship to sugars. Formation and hydrolysis of carboxylic esters and of amides. Enzymatic hydrolysis of esters and amides. Hydride reduction of aldehydes, ketones, esters and amides. NADH as Nature’s hydride, highlighting aromaticity as driving force, and relevance to typical biological reaction conditions. The reduction of aldehydes and ketones to alkanes: Wolff-Kishner reaction.

Carbonyl chemistry 2: Enols, enolates and pKa. Typical reactivity and molecular orbital analysis. Aldol and Claisen condensations. Redox disproportionation of non-enolizable aldehydes. Aldol reactions in Nature – introduction to fatty acid biosynthesis.

 

Laboratory work (Autumn and Spring semesters)

Setting up apparatus for common situations.

Purification methods, e.g. recrystallization and distillation.

Assessment of purity – thin layer chromatography, melting point, boiling point.

Identification of compounds – infrared spectroscopy.

Preparation and isolation/purification of typical crystalline solids.

Isolation and purification of a naturally occurring organic compound.

Essential Reading and Resource List

Organic Chemistry, 2nd Ed, J Clayden, N Greeves, S Warren, Oxford University Press, 2012.

Background Reading and Resource List

Chemistry3, 2nd Ed, A Burrows, J Holman, A Parsons, G Pilling and G Price, Oxford, 2013.

CH3201 - Reactivity and Properties of The Elements and Their Compounds

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3201
External Subject CodeF120
Number of Credits20
LevelL5
Language of DeliveryEnglish
Module LeaderDr Angelo Amoroso
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module builds on the knowledge, understanding and skills acquired by successful completion of the Year 1 module CH3102, to explore further the chemistry of main group and transition elements.  Trends in the behaviour of the p-block elements and their compounds are considered, with particular focus on the inert pair effect, the role of d-orbitals, p-bonding, and structure and bonding in main group and “electron-deficient’ compounds.  The mechanisms of substitution and redox reactions of transition metal complexes are described.  Trends in reactivity and magnetic properties are explained in terms of ligand field theory.

On completion of the module a student should be able to

  1. recall the chemistry of inorganic rings, chains, polymers and networks;
  2. explain and predict the strength and stability of p-bonding in the main group compounds;
  3. discuss and comment on the role of d-orbitals in bonding in main group compounds;
  4. recall the periodic trends in reactivity and structure within the p-block;
  5. explain the nature of orbital overlap within the double bonded Group 14 compounds;
  6. recall synthetic routes to boranes and carboranes and be aware of their reactivity;
  7. understand and implement Wade’s rules;
  8. recall the general reactions utilised in the synthesis of main group metal-alkyl species;
  9. discuss the structure and bonding in main group metal-alkyl and metal-hydride species;
  10. interpret multinuclear NMR spectra to determine structure within main group species and to elucidate fluxional processes;
  11. explain trends in the reaction rates of transition metal complexes;
  12. recall basic substitution mechanisms of metal complexes, as well as mechanisms for rearrangement;
  13. discuss substitution pathways for square planar complexes;
  14. understand, and implement in the design of synthetic procedures, the trans effect and the trans influence;
  15. describe the mechanisms by which electron transfer can occur;
  16. identify likely electron transfer mechanisms for a given complex;
  17. explain/predict substitution pathways for typical substitutionally inert complexes;
  18. identify magnetic behaviour by the variation of the magnetic susceptibility with temperature;
  19. discuss the relationship between the magnetic susceptibility and the magnetic moment;
  20. predict the orbital contribution for a given dn configuration;
  21. predict the temperature dependence of an orbital contribution;
  22. predict the occurrence and magnitude of Jahn-Teller distortions in transition metal complexes;
  23. explain the relative preferences for low or high spin configurations in d4-7 complexes;
  24. identify HS-LS equilibria and explain the nature of a given equilibrium;
  25. relate the roles of solvation and coordination environment in stabilising metal and non-metal species;
  26. write out the periodic table, excluding lanthanides and actinides;
  27. understand the origins of the spectrochemical series and how to, from first principles, to place an unseen ligand within the series;
  28. count electrons and derive electron configurations for transition metal complexes and organometallics in weak/strong field cases;
  29. correlate spectra of transition metal complexes to symmetry and d-electron configuration;
  30. understand the effects of crystal field stabilisation energy on the kinetic and thermodynamic properties of complex ions;
  31. understand qualitatively the thermodynamics and kinetics of reactions of metal-ligand complexes.
  32. understand experimental methods for the investigation of reaction mechanisms and interpret experimental data.

How the module will be delivered

33 1-hour lectures, 27 hours of practical work (5 3-hour sessions and 3 4-hour sessions), 4 1-hour workshops, 4 tutorials

Skills that will be practised and developed

On completion of the module a student will be able to:

  1. rationalise trends in chemical properties within/across groups in terms of electronic and atomic properties;
  2. evaluate the roles of π-bonding, inert pair effect, and variations in overlap and bond strength in influencing properties;
  3. identify characteristic structural building blocks of extended structures and relate these to stoichiometry and physical properties;
  4. predict the structures and properties of yet unseen cluster molecules based on electron counting;
  5. interpret NMR spectra (diamagnetics and paramagnetics) for main group, transition metal complexes and organometallics;
  6. summarise key features of the chemistry of main group elements and account for these in terms of atomic properties;
  7. derive – in crystal field terms – orbital energy diagrams of tetrahedral and square planar complexes;
  8. derive and interpret MO diagrams for octahedral complexes and related organometallics.
  9. quantitatively determine an overall stability constant from stepwise constants, and interpret stability constant data;
  10. interpret physical measurements, derive key kinetic and thermodynamic parameters and comment upon the significance of the results;
  11. interpret ligand field spectra in terms of ligand field parameters, complex geometry and selection rules;
  12. interpret magnetic data of unknowns, and suggest identities which explain the observed behaviour.

How the module will be assessed

A written exam (3 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and tutorials) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 13
autumn semester practical
N/A 1 N/A
Written Assessment 5
autumn semester workshops
N/A 1 N/A
Practical-Based Assessment 13
spring semester practical
N/A 1 N/A
Written Assessment 5
spring semester workshops
N/A 1 N/A
Written Assessment 4
spring semester tutorials
N/A 1 N/A
Class Test 6
january test
N/A 1 N/A
Examination - Spring Semester 50
reactivity and properties of the elements and their compounds
3 hrs 1 N/A
Written Assessment 4
autumn semester tutorials
N/A 1 N/A

Syllabus content

Main group chemistry (Autumn semester)

Ionic versus covalent bonding; role of d-orbitals; π-bonding; structure and bonding; aromaticity.

Chemistry of the p-block elements (Groups 13-16): systematic survey; ionic vs. covalent; trends in reactivity and structure; borazine, phosphazene and SN rings; multiple bonding between heavier main group elements (disilenes, distannenes, etc)

Electron-deficient compounds: diborane, Wade’s rules, carboranes, other main group clusters.

Organometallic chemistry of main group elements (s- & p-block): synthesis, reactivity, structure and bonding

 

Coordination chemistry (Spring semester)

Mechanisms of reactions of metal complexes

Trends in reaction rates as a function of periodicity. Electronic influences on rates.

Fundamental mechanistic types – associative, dissociative, interchange.

Determination of mechanisms, fundamental rate equation, thermodynamic parameters, dependence on pressure, stereochemical studies, labelling studies.

Other mechanisms – Bailar twist, conjugate base mechanism.

Ligand influences on reactivity of coordination complexes in aqueous solution: p-base/p-acid ligands.

Reaction mechanisms in square planar complexes, dual pathway mechanism.

Trans effect and trans influence. Werner’s studies on square planar complexes.

Oxidation reduction reactions, inner sphere and outer sphere mechanisms.

Principle of microscopic reversibility.

Magnetochemistry

Classical descriptions/definitions: diamagnetism, paramagnetism, ferromagnetism, antiferromagnetism, antiferrimagnetism (and related variations)

Relationships between T, chi and mu for various cases.

Langevin equation and measuring chi and mu: theory and practice

Van Vleck equation and the spin only formula

Magnetic moments (S+L)

Jahn-Teller effect  (tetragonal and trigonal) – structural and spectroscopic implications

High spin-low spin equilibria; HS-LS preferences for d4 vs d5 vs d6 vs d7

Essential Reading and Resource List

An indicative reading list will be included in the Course Handbook.

Background Reading and Resource List

An indicative reading list will be included in the Course Handbook.

CH3202 - Applications of Molecular Spectroscopy

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3202
External Subject CodeF180
Number of Credits20
LevelL5
Language of DeliveryEnglish
Module LeaderDr Simon Pope
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module develops the use, application and interpretation of molecular spectroscopies together with analytical approaches to purification. The application of these techniques to deduce the molecular structures of a wide variety of organic and inorganic compounds will be described. Primary focus will be on the application of Infrared, UV-visible absorption and nuclear magnetic resonance (NMR). Modern chromatographic purification techniques (HPLC, GCMS) will also be described in the context of identifying molecular species.

On completion of the module a student should be able to

Knowledge and Understanding

  1. Describe the underlying physical principles behind modern spectroscopic techniques;
  2. Describe qualitatively and quantitatively the information provided by 1D and 2D NMR, IR, and UV-vis spectroscopies and mass spectrometry;
  3. Relate the appearance of IR, UV-vis, 1D and 2D NMR and mass spectra to the relevant structures and physical properties of the molecular species;
  4. From an appreciation of molecular form and structure predict the appearance of IR, UV-vis and NMR spectra for a wide variety of organic and inorganic molecules;
  5. Understand the fundamental basis of chromatography and the physical origins of separation;
  6. Discuss column design, support phase performance and ‘theoretical plates’;
  7. Describe the common methods of post-chromatographic product detection based on UV-vis and MS analyses;
  8. Prepare samples, operate spectrometers, and obtain qualitative and quantitative information from IR and UV-vis spectra.

 Intellectual Skills

  1. Deduce appropriate chromatographic purification procedures and spectroscopic methods for identifying molecular compounds;
  2. Analyse and interpret spectroscopic data to deduce detailed information about the molecular structure and physical properties of inorganic and organic compounds;
  3. Utilise appropriate combinations of spectroscopic data to identify molecular structures.

How the module will be delivered

The module will consist of 33 x 1 hour lectures; 24 (8 x 3) hours problem-based workshops: 4 x 3 hr NMR, 1 x 3 hr IR (group theory), 1 x 3 hr UV-vis (Tanabe-Sugano), 1 x 3 hr MS (etc.), 1 x 3 hr combination of all; 20 (4 x 3 + 2 x 4) hours of practical; 4 x 1 hour tutorial.

Skills that will be practised and developed

Chemistry-specific skills are based upon developing an understanding and appreciation of the spectroscopic properties of organic and inorganic compounds and the use of spectroscopic techniques to deduce molecular structure and compound purity.  More generally, strong skill elements of the module are transferable: data analysis and problem solving underpin the majority of the module content and the student-led activities.

How the module will be assessed

A written exam (3 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and tutorials) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Class Test 5
january test
N/A 1 N/A
Written Assessment 5
spring semester workshops
N/A 1 N/A
Written Assessment 5
spring semester tutorials
N/A 1 N/A
Practical-Based Assessment 10
spring semester practical
N/A 1 N/A
Written Assessment 5
autumn semester tutorials
N/A 1 N/A
Practical-Based Assessment 10
autumn semester practical
N/A 1 N/A
Examination - Spring Semester 50
applications of molecular spectroscopy
3 hrs 1 N/A
Written Assessment 10
autumn semester workshops
N/A 1 N/A

Syllabus content

Autumn

Applied NMR Spectroscopy (7L)

Revision of key concepts (coupling, resonant frequencies);

1D NMR spectra , I = ½ (including 1H, 13C, 19F, 31P, 103Rh, 29Si);

Decoupled spectra;

DEPT;

Satellites (i.e. non-100% abundant nuclei);

Chemical vs magnetic inequivalence in inorganic and organic systems;

Magnitude of coupling constants;

Fluxionality (Berry mechanism, coalescence temperature);

Prediction and analysis of NMR spectra for given molecular compounds;

Applied UV-vis Spectroscopy (5L)

Appearance of bands; vibronic structure;

Types of transition (π-π*, d-d, f-f, ILCT, MLCT, LMCT) and selection rules;

Relationship of electronic transitions to molecular structures;

Types of chromophore (including push-pull CT species);

Solvent dependence (positive and negative solvatochromism) of transitions and the nature of electronic transitions;

Chromatographic Techniques (5L)

Separation procedures;

Application to HPLC, GC, LC etc;

Ion exchange chromatography;

Detectors (incorporating Mass Spectrometry i.e. GCMS)

 

Spring

Applied IR Spectroscopy (4L)

Sample handling; effects of phase;

Structural information; vibrational modes;

Fingerprints; group frequencies;

Isotopic substitution (H/D);

Modes of ligand binding (linkage isomerism);

Application of group theory to M-CO complexes; prediction of bands from symmetry.

Applied NMR Spectroscopy part 2 (7L)

Monitoring reactions;

Exchange reactions and peak shape;

Applications of 2D NMR (COSY, HETCOR);

NMR spectra of quadrupolar nuclei (including 7Li, 10/11B, 14N, 27Al, 55Mn, 73Ge);

Application of quadrupolar NMR spectroscopy to main group and transition metal systems;

Applied UV-vis Spectroscopy part 2 (5L)

Revision of term symbols;

Electronic transitions and ligand field theory; spectrochemical series and ligand type;

Spectra of Oh vs. Td;

Jahn-Teller effects;

Symmetry and Tanabe-Sagano diagrams;

Orgel diagrams;

Racah B/C parameters and ligand donor type;

Use of UV-vis spectroscopy in deducing ligand substitution reactions at TM, oxidation states of metal ions and symmetry.

Essential Reading and Resource List

Oxford Chemistry Primers: NMR spectroscopy in Inorganic Chemistry, J. A. Iggo, OUP.

Oxford Chemistry Primers: NMR, P. J. Hore, OUP.

Structural Methods in Inorganic Chemistry, Ebsworth, Rankin, Cradock, Blackwell Science.

Background Reading and Resource List

Oxford Chemistry Primers: Inorganic Spectroscopic Methods, A. K. Brisdon, OUP.

Fundamental of Molecular Spectroscopy, C. N. Banwell, McGraw-Hill.

Modern Spectroscopy, J. M. Hollas, Wiley.

The Chemical Bond, Murrell, Kettle, Tedder.

CH3203 - Organic Chemistry of Multiply Bonded Systems

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3203
External Subject CodeF160
Number of Credits20
LevelL5
Language of DeliveryEnglish
Module LeaderDr Mark Elliott
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module completes the work in begun in year 1, to provide a coherent mechanistic overview of all of the key organic functional groups and their formation/reactivity.

On completion of the module a student should be able to

Knowledge and Understanding

  1. Describe mechanisms for commonly encountered reactions of carbonyl compounds.
  2. Understand the molecular structure of carbonyl compounds and relate this to their reactivity under a range of reaction conditions.
  3. Appreciate the distinction between kinetically and thermodynamically controlled reactions.
  4. Understand the reasons for the stability of aromatic organic compounds, and be able to relate this to the types of reaction that such compounds undergo.
  5. Describe the mechanisms of electrophilic aromatic substitution reactions with a range of common reagents.
  6. Predict the site of electrophilic attack on monosubstituted and polysubstituted aromatic compounds.
  7. Rationalise the relative rates of electrophilic substitution reactions of substituted aromatic compounds.
  8. Describe the outcome and mechanisms of addition reactions of alkenes.
  9. Understand the fundamental differences between the reactivity of alkenes and aromatic systems.
  10. Describe the mechanisms of reactions used for the formation and functionalisation of heteroaromatic compounds.

Intellectual Skills

  1. Apply fundamental principles of organic reactivity to predict and rationalise the outcome of organic chemical reactions.
  2. Use mechanistic reasoning based on known reaction pathways to deduce the likely mechanisms of unknown, but similar, reactions.
  3. Relate the structures of aromatic organic compounds to their spectroscopic (primarily NMR) data and use this understanding to rationalise the electrophilic substitution reactions of such compounds.
  4. Analyse molecular structures and devise strategies for the preparation of organic compounds using reactions covered in this course.

Practical Skills

Prepare and purify organic compounds using a range of reaction types, synthetic methods and purification techniques.

How the module will be delivered

The module will consist of 33 x 1 hour lectures, 27 (5 x 3 + 3 x 4) hours of practical, 14 (7 x 2 hour) problem-based workshops (2 x carbonyl chemistry, 2 x aromatic chemistry, 1 x alkene chemistry, 2 x heterocyclic chemistry) and 4 x 1 hour tutorials.

Skills that will be practised and developed

Chemistry-specific skills are highly focused on the area of mechanistic organic chemistry, and centre on the fundamental relationship between molecular structure and reaction mechanism. Students will develop a detailed understanding of reaction mechanisms and be able to rationalise and deduce mechanistic pathways based on fundamental principles. This area is a specific type of problem-solving; however, the rigorous structured approach to solving problems of this type will be transferrable to other types of problem solving.

How the module will be assessed

A written exam (3 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and tutorials) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 50
organic chemistry of multiply bonded systems
3 hrs 1 N/A
Written Assessment 5
autumn semester workshops
N/A 1 N/A
Practical-Based Assessment 10
autumn semester practical
N/A 1 N/A
Written Assessment 5
spring semester workshops
N/A 1 N/A
Written Assessment 2
autumn semester tutorials
N/A 1 N/A
Practical-Based Assessment 20
spring semester practical
N/A 1 N/A
Written Assessment 2
spring semester tutorials
N/A 1 N/A
Class Test 6
january test
N/A 1 N/A

Syllabus content

Chemistry of the carbonyl group (11L)

Addition reactions to aldehydes and ketones.

Formation of acetals, ketals, imines and enamines, relating the reactions to SN1 reactions seen in year 1.

Modern aspects of imine/enamine chemistry – iminium ion organocatalysis.

Carboxylic acids and esters: applications, biological importance, mechanisms for ester formation/hydrolysis, emphasising the importance of acidity/basicity in determining the course of the reaction.

Enols and enolates, aldol and Claisen condensations and related reactions.

Kinetic and thermodynamic enolates.

Conjugate addition to alpha,beta-unsaturated carbonyl compounds. Organocuprates and malonate-type nucleophiles. Hard and soft nucleophiles.

Aromaticity (8L)

Stability and molecular orbitals of aromatic systems.

Electrophilic substitution reactions of benzenoid aromatic compounds. Directing effects of substituents, resonance forms.

Relationship between the reactivity and spectroscopy of aromatic systems.

Alkenes (4L)

Electrophilic addition reactions to alkenes. Hydroboration, epoxidation.

Comparison of the addition reactions of alkenes with substitution reactions of benzene.

Aromatic Heterocyclic Chemistry (10L)

Synthesis of aromatic heterocyclic systems – pyridine, pyrimidine, pyrrole, furan, oxazole, thiazole, focusing on the fundamental nature of the reactions involved.

Nucleophilic and electrophilic substitution of aromatic heterocyclic systems.

Lithiation chemistry for the functionalisation of heterocyclic aromatic compounds.

Essential Reading and Resource List

Organic Chemistry, 5th Edition, G. M. Loudon, Roberts and Company Publishing, 2009.

Background Reading and Resource List

Please see Essential Reading List.

CH3204 - Symmetry, Spectroscopy and Quantum Mechanics

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3204
External Subject CodeF170
Number of Credits20
LevelL5
Language of DeliveryEnglish
Module LeaderDr David Willock
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module develops understanding of the fundamental nature of matter at the quantum level, along with experimental and theoretical methods used to probe this. The range of spectroscopic methods by which atoms and molecules are studied will be examined in detail, focussing on the physical information contained within spectra. Quantum mechanical description of model systems will set the foundations for deeper understanding of the structure and spectra of atoms and simple molecules, and of the bonding in more complex molecules. Consideration of symmetry and group theory is crucial in all aspects of this module; this will be introduced at the start of the module and applied throughout.

On completion of the module a student should be able to

Knowledge and Understanding

a) Recognise symmetry elements and operations in molecules, and use these to assign point groups;

b) Appreciate the use of character tables to describe the results of symmetry operations on molecules;

c) Use group theoretical arguments to predict features of rotational, infra-red and Raman spectra;

d) Know the parts of the electromagnetic spectrum used in common forms of spectroscopy, and describe the physical processes these are used to probe;

e) Understand the origins and appearance of typical rotational and vibrational absorption/emission and Raman spectra, predict their appearance for simple molecules, and extract chemical information from spectra;

f) Appreciate how electronic energy levels in atoms and molecules arise, predict spectra, and extract chemical information;

g) Describe theoretical treatment of wave properties of matter within the quantum mechanical approach;

h) Appreciate how solutions of the Schrödinger equation are found for model systems, and recognise the physical and chemical significance of these solutions;

i) Use quantum mechanical and group theoretical concepts to describe the bonding in diatomic and polyatomic molecules;

j) Apply concepts of molecular orbital and valence bond theories to describe simple molecules and coordination complexes.

  

Intellectual Skills

a) Appreciate fundamental aspects of matter at the quantum level, and the experimental evidence for theoretical descriptions;

b) Extract physical and chemical data from spectra, and relate this to theoretical concepts of molecular and electronic structure;

c) Utilise appropriate combinations of spectroscopic data to identify molecular structures.

d) Relate the three dimensional structure of molecules to their physical properties and use group theory to relate the two.

e) Infer molecular structure from spectroscopic data based on symmetry arguments.

f) Construct molecular orbital diagrams from a combination of symmetry and bonding theory.

How the module will be delivered

The module will consist of 33 x 1 hour lectures; 18 (6 x 3) hours problem-based workshops: 1 x 3 hr symmetry, 1 x 3 hr spectroscopy, 2 x 3 hr quantum mechanics, 2 x 3 hr LCAO/MO theory; 26 (6 x 3 + 2 x 4) hours of practical; 4 x 1 hour tutorial.

Skills that will be practised and developed

Chemistry-specific skills are based upon developing an understanding and appreciation of the fundamental properties of matter, theoretical description of atomic and molecular structure, and the physical evidence for this. This knowledge will be applied to the use of spectroscopic and related experimental data to infer molecular structure through the application of group theory. More generally, strong skill elements of the module are transferable: problem solving and mathematical analysis underpin the majority of the module content and the student-led activities.

How the module will be assessed

A written exam (3 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and tutorials) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Class Test 5
january test
N/A 1 N/A
Practical-Based Assessment 10
spring semester practical
N/A 1 N/A
Written Assessment 10
spring semester workshops
N/A 1 N/A
Written Assessment 5
spring semester tutorials
N/A 1 N/A
Written Assessment 10
autumn semester workshops
N/A 1 N/A
Practical-Based Assessment 5
autumn semester practical
N/A 1 N/A
Examination - Spring Semester 50
symmetry spectroscopy and quantum mechanics
3 hrs 1 N/A
Written Assessment 5
autumn semester tutorials
N/A 1 N/A

Syllabus content

Autumn

Symmetry (8L):

Elements and operations, classification of axes and planes, assignment of point groups.

Group Theory: Introduction of a basis, operations as matrices, characters to describe the results of operations, background to the construction of character tables.

Applications of Group theory: Use of characters to describe the result of operations on a basis, construction of reducible representations and application of the reduction formula, mathematical basis of selection rules, example applications in Rotational, IR, Raman spectroscopy and in chemical bonding.

Molecular Spectroscopy (9L):

Rotational and vibrational spectra: Microwave spectra, moments of inertia, selection rules in rotational transitions, the rotation of molecules, energy levels and effects of angular momentum in rotational spectra, diatomic and polyatomic molecules, rigid rotator and non-rigid rotator.

The vibrating diatomic molecule (Hooke’s law and the simple harmonic oscillator), molecular vibrations (selection rules), vibration-rotation spectra, P, Q, R branches, vibrations in polyatomic molecules, normal modes of vibration, IR spectroscopy.

Raman spectra, molecular polarizability, pure rotational Raman spectra for linear and spherical top molecules,

Electronic spectra (molecules): electronic spectra of diatomic molecules, Born-Oppenheimer approximation, term symbols for linear molecules, angular momentum and selection rules. Electronic states, and Franck-Condon factors, dissociation energies, fine structure, Fortrat diagram.

 

Spring

Quantum mechanics and Atomic Spectra (8L):

Wave properties of matters, kinetic and potential energy, wave-particle duality, postulates of QM, Schrödinger equation, uncertainty principle.

Applications of Schrödinger equation: Boundary conditions, Particle in a box, barrier tunnelling, harmonic oscillator, rotations and angular momentum, the hydrogen atom, hydrogen like orbitals.

Extensions of basic theory: Many electron atoms (He), the Pauli principle, the chemical bond, the periodic table.

Electronic spectra (atoms): electronic wave functions, Coulombic interaction and term symbols, exchange interactions (multiplicity of states) and spin-orbit interactions, Russell-Saunders coupling and j-j coupling, the effect of an external magnetic field and the Zeeman effect.:

Chemical Bonding (8L):

Linear Combination of Atomic Orbitals: LCAO applied to the construction of molecular orbital diagrams for heteronuclear diatomics (HF, CO), and  polyatomics (BeH2, BH3, CH4, SF6) by use of group orbitals. Delocalised molecular orbitals. Normalisation constants.

Comparison of molecular orbital and valence bond approaches to chemical bonding.

Walsh diagrams for H2O and BeH2 – MO approach to molecular geometry.

Extension of LCAO/MO approach to co-ordination complexes of Oh, Td and D4h symmetry. Symmetry descriptors of relevant orbitals, relationship to/differences from CFT.

Essential Reading and Resource List

An indicative reading list will be included in the Course Handbook.

Background Reading and Resource List

An indicative reading list will be included in the Course Handbook.

CH3205 - Thermodynamics and Kinetics

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3205
External Subject CodeF170
Number of Credits20
LevelL5
Language of DeliveryEnglish
Module LeaderDr Alison Paul
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module explores fundamental concepts in thermodynamics and kinetics, including an introduction to statistical mechanical approaches.  Building on the introduction of enthalpy, entropy and free energy in the module CH3101, the relationship between free energy and different types of equilibrium constants will be explored.  Statistical mechanical definitions of simple concepts in thermodynamics and kinetics will be developed. The key topics of electrochemistry and colloid science will then be used to exemplify the relationship between energy and structure. Experimental routes to obtaining critical thermodynamic quantities are explored in the accompanying laboratory classes.  The kinetics aspect of this module will build on introductory material (Yr 1) to the level where complex experimental kinetics may be treated mathematically, focusing on complex sequences of elementary reactions, competing reactions and chain reactions, together with aspects of the kinetics of surface processes such as catalysis and corrosion.

On completion of the module a student should be able to

 Knowledge and Understanding

  1. show a detailed understanding of the laws of thermodynamics;
  2. demonstrate an understanding of the relationship between equilibrium constants and free energy changes;
  3. define chemical potential and describe how this varies with changing system composition;
  4. show how kinetic theory can be extended to chemical reactions using the simple assumptions of collision theory;
  5. discuss the limitations of collision theory in describing the gas phase reactions of molecules;
  6. demonstrate an understanding of the link between statistical models and thermodynamic quantities;
  7. illustrate how the Boltzmann distribution arises from the statistical definitions of internal energy, entropy;
  8. appreciate how a statistical mechanics approach provides an alternative to collision theory;
  9. define microstates and link them to thermodynamic observables for a given system;
  10. illustrate how the Boltzmann distribution arises from the statistical definitions of internal energy and entropy;
  11. explain the concept of activity, describe ionic strength, ideal and non-ideal electrolytes and how solution non-ideality influences solubility products;
  12. demonstrate understanding of the precepts underlying the Debye-Hückel limiting law;
  13. recall and use the Nernst equation, determine electrode polarities of an electrochemical cell and calculate standard electrode potentials from tabulated data;
  14. calculate cell EMF and hence thermodynamic parameters including Gibbs free energy;
  15. demonstrate understanding of surfactant adsorption and aggregation behaviour in aqueous solution, and the thermodynamic driving forces for this;
  16. name and describe thermodynamic models for surfactant micellisation based on chemical potentials and equilibrium constants;
  17. describe the origins of key contributions to the Gibbs free energy change for various dispersion processes;
  18. sketch and describe potential energy diagrams for various types of colloidal particle dispersion;
  19. understand the relationships between empirical reaction rates and reaction mechanisms, and describe the concept of the rate determining step;
  20. employ the steady-state and equilibrium approximations to analyse kinetic data;
  21. describe the steps involved in surface adsorption;
  22. recall the assumptions of the Langmuir and BET isotherms;
  23. describe modern experimental methods of studying reaction kinetics.

 Intellectual Skills

  1. understand the use of theoretical models to explain the kinetics and thermodynamics observed in real systems;
  2. design practical experiments based on equilibrium systems to obtain key thermodynamic parameters;
  3. design practical experiments to investigate the kinetics of complex reactions;
  4. appreciate the design criteria behind the formulation of common colloidal products.

How the module will be delivered

The module will be delivered in 33 hours of lectures (33 x 1 hr), 4 hours of tutorials, 10 hours of assessed (formative and summative) workshops and 27 hours of laboratory work.

Skills that will be practised and developed

Statistical analysis of experimental data, including errors, accuracy and precision.

Awareness and importance of COSHH, completion of associated documents.

How the module will be assessed

A written exam (3 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and tutorials) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 4
spring semester workshops
N/A 1 N/A
Written Assessment 3
spring semester tutorials
N/A 1 N/A
Practical-Based Assessment 14
spring semester practical
N/A 1 N/A
Class Test 6
january test
N/A 1 N/A
Written Assessment 3
autumn semester tutorials
N/A 1 N/A
Written Assessment 6
autumn semester workshops
N/A 1 N/A
Practical-Based Assessment 14
autumn semester practical
N/A 1 N/A
Examination - Spring Semester 50
thermodynamics and kinetics
3 hrs 1 N/A

Syllabus content

Lecture material will be delivered in the following sections.  Each section will have  associated assessed workshop and tutorial material.

1.  Concepts in thermodynamics (4L)

Thermodynamic quantities such as ∆G, ∆H, ∆S. Revision of first law of thermodynamics (summary), second law of thermodynamics (entropy, direction of spontaneous change, absolute entropies, entropy of an ideal gas, and the third law).

Equilibrium thermodynamics: relationships between equilibrium, free energy and chemical potential: Gibbs free energy of formation, extensivity and partial molar quantities, solubility products.

Helmholtz and Gibbs energies, standard molar Gibbs energies.

Basic thermodynamics of gases, liquids and solids. Surface tension.

 2. Introduction to statistical mechanics (6L)

A brief review of the kinetic theory of gases and its extension to collision theory of reaction rates.

Failures of the collision theory illustrated with examples from gas kinetics.

Development of statistical mechanics starting from a conceptual definition of a microstate, simple examples of microstate counting.

Statistical definition of internal energy, entropy and chemical potential.

Derivation of the Boltzmann distribution.

3. Applied thermodynamics and equilibria:Electrochemistry (6L)

Links between Gibbs free energy and electrical work for reversible cells. Gibbs-Helmholtz equation and its application to electrochemical cells.

Solutions and solubility products. Susceptibility to corrosion from measurements of EMF.

Concept of activity. Ionic strength principle. Debye-Huckel limiting law.

Redox potentials. Electrochemical potentials – relationships to chemical potentials. Nernst Equation

The Boltzmann formula for entropy and configurational entropy

4. Applied thermodynamics and equilibria: Colloid science (6L)

Introduction to colloidal systems: surfactants, micelles, microemulsions and particle suspensions. Effect of surfactants on surface tension. 

Thermodynamic models of micellisation; relationship between DG and the critical micelle concentration – chemical potentials and equilibrium constants. Factor contributing to free energy change for micellisation.

Stability in liquid/liquid dispersions – contributions to free energy change for dispersion.

Stability in solid/liquid dispersions – interaction energies and potential energy diagrams.

5. Solution kinetics (7L)

Derivation of simple rate equations for complex reactions (consecutive, parallel, reversible unimolecular processes),

Approximate solutions to these via the steady-state and equilibrium approximations.

Enzyme kinetics (including various forms of inhibition),

Chain reactions (branching chains, explosions, oscillating reactions).

Interpretation of rate constants in terms of diffusion- or activation-controlled reactions.

Transition state theory, from the standpoint of equilibrium constants.

6. Surface kinetics (3L)

The kinetics of reactions at surfaces will be introduced in terms of rates of adsorption & desorption, precursor states and the common mechanisms (Langmuir-Hinshelwood and Eley-Rideal). Kinetic methods of studying surface reactions will be highlighted.

Laboratory sessions will be divided into two parts, four sessions in Autumn, five sessions in Spring.  Each part is designed to reflect the theory of kinetics and thermodynamics presented in lectures.

Thermodynamics and Electrochemistry (13 hrs, Autumn semester)

Measurement of standard enthalpies of formation and reaction stoichiometries via calorimetry

Measurement of equilibrium constants using a spectroscopic method.

Measurement of standard electrochemical potentials.

Measurement of Gibbs free energies, entropies and enthalpies for a reversible electrochemical cell.

Kinetics and Equilibria (14 hrs, Spring semester)

Computer simulation and analysis of reactivity data,

Simple characterisation of reaction rates (pH, Uv-vis),
Competition in reactions (enzyme kinetics)

Oscillating reactions.

 

Essential Reading and Resource List

An indicative reading list will be included in the Course Handbook.

Background Reading and Resource List

An indicative reading list will be included in the Course Handbook.

CH3206 - Key Skills For Chemists

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3206
External Subject CodeF100
Number of Credits10
LevelL5
Language of DeliveryEnglish
Module LeaderProfessor Christopher Morley
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module builds on the knowledge, understanding and skills acquired by successful completion of the Year 1 module CH3105.  Students will have opportunities to enhance their employability, by increasing their expertise in a variety of areas, such as: data retrieval, analysis and presentation; teamworking; information technology and communication.

On completion of the module a student should be able to

  1. locate available sources for retrieval of scientific information, and utilise a variety of methods for its extraction and presentation;
  2. appreciate the points required for successful job applications and interviews.

How the module will be delivered

11 2-hour lecture/workshops

Skills that will be practised and developed

Intellectual skills

The student will be able to analyse a topic, either in order to prepare for a talk or other presentation, or to write an extended essay.

Chemistry-specific skills

The student will be able to:

  1. apply risk assessment principles to chemical situations, including the correct location and use of COSHH information;
  2. use software tools to accomplish tasks in chemistry.

Transferable skills

The student will be able to:

  1. search electronic sources for technical information;
  2. produce a presentation;
  3. present a short talk;
  4. prepare and present a group poster;
  5. write an extended essay on a given topic;
  6. manage time efficiently and work in groups to accomplish tasks;
  7. produce a CV suitable for a defined occasion;
  8. understand the principles of risk assessment.

How the module will be assessed

This module is assessed via variety of tasks to be completed throughout the year.  There is no examination for this module.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Presentation 25
oral presentation
N/A 1 N/A
Presentation 25
poster presentation
N/A 1 N/A
Written Assessment 30
extended essay
N/A 1 N/A
Written Assessment 5
library assignment
N/A 1 N/A
Written Assessment 15
careers assignment
N/A 1 N/A

Syllabus content

Web of Science and data-base searches.

Chemistry resources on the Internet.

Use of a reference manager program such as Endnote.

Use of chemical drawing software.

Correct referencing and acknowledgement; avoidance of plagiarism.

Presentation skills, to be used in a short talk and a group poster.

Essay writing skills.

Risk assessment, including COSHH.

Career reflection and management.*

CV writing and interview skills.*

   (* to be taught with assistance from Careers Service)

Essential Reading and Resource List

An indicative reading list will be included in the Course Handbook.

Background Reading and Resource List

An indicative reading list will be included in the Course Handbook.

CH3216 - Chemical Biology II: Introduction To Enzyme and Nucleic Acid

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3216
External Subject CodeF163
Number of Credits10
LevelL5
Language of DeliveryEnglish
Module LeaderDr James Redman
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module provides an extensive description of the structures of biological molecules, their interactions and reactions. It aims to show how the basis of their reactivity can be understood in terms of chemical laws and concepts.

On completion of the module a student should be able to

a) mechanistically depict the typical reactivity of amino acids, nucleotides and simple carbohydrates;

b) depict the primary, secondary, tertiary and quaternary structures of proteins, polysaccharides, nucleic acids and phospholipid bilayers, discuss their size and describe how their functions relate to their chemical structure and reactivity;

c) explain the different types of non-covalent interactions at the molecular level and be able to translate the concepts of hydrogen-bonding, van der Waals interactions, hydrophobic interactions, hydrophilic interactions and salt bridges into a description of macromolecular structure and how small ligands interact with enzymes;

d) give an overview of how enzymes function, and write mechanisms for specific examples of hydrolytic enzymes;

e) explain the Michaelis-Menten model of enzyme kinetics and be able to quantitatively describe enzyme catalysed reactions using the Michaelis-Menten equation;

f)  explain the chemistry of DNA replication, mutagenesis and repair processes;

g) depict the chemistry underlying transcription and translation, and explain how this can be used to manufacture a protein with a given amino acid sequence;

h) draw mechanisms for Edman degradation of proteins and the reaction with cyanogen bromide.

How the module will be delivered

17 x 1 h lectures, 3 x 1h workshops, 7 h practical

Skills that will be practised and developed

Intellectual Skills:

On completion of the module the student will be able to:

a) rationalise biochemical reaction mechanisms using the curly arrow formalism of organic chemistry;

b) suggest biochemical functions and biochemically relevant reactivity of previously unseen molecules.

 

Discipline Specific (including practical) Skills:

On completion of the module the student will have a greater awareness of how to apply the principles of chemical reactivity to biomolecules. The student will be able to use on-line databases to search for function and structure of proteins and nucleic acids.

How the module will be assessed

A written exam (2 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and tutorials) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a laboratory-based exercise.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 15
workshops
N/A 1 N/A
Examination - Spring Semester 70
chemical biology ii: introduction to enzyme and nucleic acid
2 hrs 1 N/A
Practical-Based Assessment 15
practical work
N/A 1 N/A

Syllabus content

Biomacromolecules and their building blocks – amino acids, carbohydrates and nucleotides.

Amino acid side chain functional groups – classification into hydrophobic, hydrophilic, charged, aromatic.

pKa and ionization states of amino acids under physiological conditions.

Cysteine – ability to oxidize.

Polypeptides/proteins - amide bonds - electronic structure and geometry.

Primary structure – the 3 letter / 1 letter codes for amino acids and the convention for writing peptide sequences.

Importance of non-covalent interactions in biomolecular structure.

Torsion angles. Hydrogen bonding in alpha helix and beta sheet, Ramachandran plots.

Tertiary structure - hydrophobic interactions, salt bridges, cystine, H bonds - combinations of helices and sheets.

Quaternary structure - protein-protein interactions.

Introduction to databases of protein sequences and structures.

 

Biological catalysis.

Reaction free energy profiles, types of catalysis – general acid/base, nucleophilic catalysis.

Examples – esterases, serine and cysteine proteases.

Michaelis-Menten kinetics.

 

Sugars - monosaccharides - structure and Fischer/Haworth projections.

Chemistry of hemiacetals, ring/chain equilibria. Pyranose and furanose forms. Anomers.

Glycosides, disaccharides – maltose, cellobiose.

Polysaccharides – linear and branching, cellulose, starch and glycogen.

Complex carbohydrates – aminosugars, proteoglycans, glycosaminoglycans and peptidoglycans.

 

Nucleic acids – structure, heterocyclic bases, H-bonding, base pairing (classical and non-classical).

Phosphate esters – reactions, kinetics and thermodynamics.

Nucleosides, nucleotides and the double helix (DNA vs. RNA conformation).

Polymerases – DNA replication, transcription and reverse transcription.

Chemical reactions of mutation and DNA repair processes.

Transcription and translation.

Introduction to recombinant DNA technology.

Essential Reading and Resource List

Foundations of Molecular Biology, C. M. Dobson, J. A. Garrard, A. J. Pratt, Oxford Chemistry Primers.

Lehninger Principles of Biochemistry, 4th edition or later, David L. Nelson and Michael M. Cox, W. H. Freeman.

Fundamentals of General, Organic and Biological Chemistry, 5th edition, John McMurry, Mary E. Castellion, David S. Ballantine, Pearson Prentice Hall 2007.

Background Reading and Resource List

Please see Essential Reading List.

CH3217 - Biomolecular Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3217
External Subject CodeF165
Number of Credits10
LevelL5
Language of DeliveryEnglish
Module LeaderDr James Redman
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This is a core module for degree programmes in Biochemistry and Biotechnology, and covers a range of chemistry of relevance to biochemical systems, building on the first year module BI1214. The main themes include spectroscopic and analytical methods, organic stereochemistry and synthesis, coordination and bio-inorganic chemistry.  It is taught through lectures and directed work, and accompanied by practical experiments that illustrate the principles and give a useful experience of laboratory procedures for handling chemicals and interpreting data.

On completion of the module a student should be able to

  1. Understand the principles and practice of key spectroscopic techniques for investigating molecular structure and shape;
  2. Use a combination of analytical techniques and reactivity to deduce the structures of simple organic molecules;
  3. Describe the methods commonly used for the detection and determination of metal ions;
  4. Explain the principles and applications of common chromatographic techniques, including GC and HPLC;
  5. Understand the stereochemistry of organic molecules – isomerism, stereoisomerism, conformation in acyclic and cyclic systems;
  6. Describe and illustrate the principles of enantioselective synthesis;
  7. Understand, in general terms, the reactivity of multifunctional molecules, and the methods required for their synthesis, including the use of protecting groups;
  8. Explain trends in the periodic table with reference to the properties of elements of biological importance;
  9. Use ligand field theory to understand key aspects of transition metal coordination chemistry – spectroscopic and magnetic properties, thermodynamics and kinetics of complex formation;
  10. Appreciate the role of coordination compounds in biology;
  11. Understand the principles of redox chemistry, particularly those involving transition metal complexes.

How the module will be delivered

The module will be delivered in 22 1-hour lectures, 1 1-hour workshop, and 1 4-hour laboratory class.

Skills that will be practised and developed

On completion of the module a student will be able to:

Intellectual Skills:

  1. use information provided and apply knowledge to situations that are familiar or require slight extensions to previously unseen systems;
  2. interpret various types of data in the light of the background of material taught in the module.

Discipline Specific (including practical) Skills:

  1. use chemical ideas, principles and procedures in familiar situations with reasonably detailed instructions;
  2. understand how basic chemical principles can be used to provide a framework for understanding more complex molecular systems and situations;
  3. carry out a range of laboratory procedures safely and correctly, interpreting results to an appropriate level, and providing clear reports to a standard and defined style.

Transferable Skills:

  1. use information from taught classes, supplemented by reference to written literature and electronic sources;
  2. use standard software for the presentation of results, and specialised software for carrying out chemically specific tasks in data handling and analysis.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework, including the submission of a laboratory report, will allow the student to demonstrate his/her ability to judge and critically review relevant information.  A laboratory class will also assess the development of practical skills.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 15
laboratory work in inorganic chemistry
N/A 1 N/A
Written Assessment 15
analytical chemistry workshop
N/A 1 N/A
Examination - Autumn Semester 70
biomolecular chemistry
2 hrs 1 N/A

Syllabus content

Analytical Chemistry (5 Lectures)

Spectroscopic techniques – infrared (IR), mass spectrometry (MS), 1H and 13C nuclear magnetic resonance (NMR).

Elemental analysis – calculating empirical formula, double bond equivalents.

Use of combined analytical techniques and reactivity for deducing structures of organic molecules.

Chromatographic methods for separating mixtures – GC, HPLC.

 

Organic Chemistry (8 lectures)

Stereochemistry and conformation of organic molecules – simple alkanes, cycloalkanes, sugars, stereoisomerism and effects on reactivity.

Control of chemical reactions – kinetic versus thermodynamic control, chemoselectivity, regioselectivity and stereoselectivity.

Stereochemistry in organic reactions, using substitution and addition reactions as examples. Introduction to methods of asymmetric synthesis.

Use of protecting groups in the synthesis of multifunctional molecules.

 

Inorganic Chemistry (9 lectures)

Properties of main group and transition elements, including Periodic Table trends for elements of biological significance. 

Structures and stereochemistry of coordination compounds and chelate systems.

Ligand field (molecular orbital) theory of bonding in transition metal complexes.

Spectroscopic and magnetic properties of transition metal complexes.

Thermodynamics and kinetics of complex formation.

Coordination compounds in biology – haemoglobin, vitamin B12.

Redox processes and mechanisms, especially involving metal ions in biological systems – examples: SOD and electron transport by proteins.

 

Practical Work and Workshops

Practical work and workshops will support lectures and demonstrate key aspects of the course.  They will include:

  1. Analytical chemistry – calculating empirical formulae and mass spectrometry analysis (assessed workshop);
  2. Inorganic chemistry – Fe salicylate complexes (assessed practical work).

 

Essential Reading and Resource List

There is no essential reading or resource required for this module.

Background Reading and Resource List

John McMurry, Organic chemistry with biological applications, 2nd or 3rd edition, Cengage Learning, ISBN-13: 9781285842912

Mark Weller, Tina Overton, Jonathan Rourke, Fraser Armstrong, Inorganic chemistry, 6th edition, Oxford University Press, ISBN-13: 978-0-19-964182-6

CH3299 - Organic Chemistry For Visiting Or Exchange Students

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3299
External Subject CodeF160
Number of Credits10
LevelL5
Language of DeliveryEnglish
Module LeaderDr Mark Elliott
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module provides a coherent mechanistic overview of some key organic functional groups and their formation/reactivity.

On completion of the module a student should be able to

Knowledge and Understanding

  1. Appreciate the distinction between kinetically and thermodynamically controlled reactions.
  2. Understand the reasons for the stability of aromatic organic compounds, and be able to relate this to the types of reaction that such compounds undergo.
  3. Describe the mechanisms of electrophilic aromatic substitution reactions with a range of common reagents.
  4. Predict the site of electrophilic attack on monosubstituted and polysubstituted aromatic compounds.
  5. Rationalise the relative rates of electrophilic substitution reactions of substituted aromatic compounds.
  6. Describe the outcome and mechanisms of addition reactions of alkenes.
  7. Understand the fundamental differences between the reactivity of alkenes and aromatic systems.
  8. Describe the mechanisms of reactions used for the formation and functionalisation of heteroaromatic compounds.

Intellectual Skills

  1. Apply fundamental principles of organic reactivity to predict and rationalise the outcome of organic chemical reactions.
  2. Use mechanistic reasoning based on known reaction pathways to deduce the likely mechanisms of unknown, but similar, reactions.
  3. Relate the structures of aromatic organic compounds to their spectroscopic (primarily NMR) data and use this understanding to rationalise the electrophilic substitution reactions of such compounds.
  4. Analyse molecular structures and devise strategies for the preparation of organic compounds using reactions covered in this course.

Practical Skills

Prepare and purify organic compounds using a range of reaction types, synthetic methods and purification techniques.

How the module will be delivered

The module will consist of 17 1-hour lectures, 20 (4 × 3 + 2 × 4) hours of practical, 8 (4 × 2 hour) hours of problem-based workshops (1 × aromatic chemistry, 1 × alkene chemistry, 2 × heterocyclic chemistry) and 2 × 1 hour tutorials.

Skills that will be practised and developed

Chemistry-specific skills are highly focused on the area of mechanistic organic chemistry, and centre on the fundamental relationship between molecular structure and reaction mechanism. Students will develop a detailed understanding of reaction mechanisms and be able to rationalise and deduce mechanistic pathways based on fundamental principles. This area is a specific type of problem-solving; however, the rigorous structured approach to solving problems of this type will be transferrable to other types of problem solving.

How the module will be assessed

A written exam (2 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops and tutorials) will allow the student to demonstrate his/her ability to judge and critically review relevant information.  Practical skills will be assessed via a series of laboratory-based exercises.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 7
workshops
N/A 1 N/A
Written Assessment 3
tutorials
N/A 1 N/A
Practical-Based Assessment 25
practical work
N/A 1 N/A
Examination - Spring Semester 65
organic chemistry for visiting or exchange students
2 hrs 1 N/A

Syllabus content

Aromaticity

Stability and molecular orbitals of aromatic systems.

Electrophilic substitution reactions of benzenoid aromatic compounds. Directing effects of substituents, resonance forms.

Relationship between the reactivity and spectroscopy of aromatic systems.

Alkenes

Electrophilic addition reactions to alkenes. Hydroboration, epoxidation.

Comparison of the addition reactions of alkenes with substitution reactions of benzene.

Aromatic Heterocyclic Chemistry

Synthesis of aromatic heterocyclic systems – pyridine, pyrimidine, pyrrole, furan, oxazole, thiazole, focusing on the fundamental nature of the reactions involved.

Nucleophilic and electrophilic substitution of aromatic heterocyclic systems.

Lithiation chemistry for the functionalisation of heterocyclic aromatic compounds.

Essential Reading and Resource List

An indicative reading list will be provided at the start of the module.

Background Reading and Resource List

An indicative reading list will be provided at the start of the module.

CH9999 - Industrial Training

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH9999
External Subject CodeF100
Number of Credits120
LevelL5
Language of DeliveryEnglish
Module LeaderDr Stuart Taylor
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

BSc students on placement in industry are enrolled on this module during their year out. Satisfactory performance is required for the award of the degree, and the mark awarded contributes 10% to the overall degree classification.

On completion of the module a student should be able to

There are no specific learning outcomes for this module

How the module will be delivered

Students undertake a placement in industry, of minimum 6 months' duration.

Skills that will be practised and developed

The specific skills that will be practised and developed will depend on the nature of the work that the student undertakes, but the following will apply in all cases:

Time management; teamworking; record-keeping.

How the module will be assessed

The module will be assessed on the basis of a report from the industrial supervisor.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Report 50
written report
N/A 1 N/A
Practical-Based Assessment 50
supervisor's placement report
N/A 1 N/A

Syllabus content

There is no specific syllabus content for this module.

Essential Reading and Resource List

There is no specific reading and resource list for this module.

Background Reading and Resource List

There is no specific reading and resource list for this module.

CH2301 - Training in Research Methods

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2301
External Subject CodeF100
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderProfessor Thomas Wirth
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This is a module of practical work, designed to familiarise learners with advanced research techniques used for experiments of a synthetic and/or instrumental nature, and with professional applications of information technology.

The module will also include exercises designed to develop skills in entrepreneurship, critical analysis, problem-solving, oral and written communication, and to enhance students’ employability.

On completion of the module a student should be able to

  1. use equipment appropriate to the experiments in a safe and correct way;
  2. obtain and act upon safety and hazard information for chemicals;
  3. explain the chemical principle behind each experiment;
  4. recognise the relationship between spectroscopic properties (NMR and UV/vis) and molecular structure and symmetry.

How the module will be delivered

132 h (44 x 3 h) laboratory classes, plus 11 h of seminars / workshops

Skills that will be practised and developed

On completion of the module, the student will be able to:

Intellectual skills

a) draw conclusions about reaction mechanisms from the combination of experimental and spectroscopic data;

b) relate the experimental data to the underlying theory;

c) analyse problems and identify the critical decisions needed in designing approaches to solutions.

Chemistry-specific skills

a) prepare, isolate and purify organic and inorganic compounds using standard procedures;

b) manipulate air-sensitive compounds under an inert atmosphere;

c) prepare and isolate aqueous coordination compounds;

d) obtain and interpret IR and UV/vis spectra of organic and transition-metal compounds;

e) interpret NMR spectra of organic compounds and hence assess critically the outcome of a reaction;

f) assess the risks associated with the use of chemicals and apparatus;

g) record experimental data in an organised manner and present a written report and oral discussion clearly and concisely;

h) determine the most appropriate format for presentation of experimental data;

i) show scientific judgement and ability to select appropriate experiments to tackle a problem.

Transferable skills

a) write a concise and accurate report on a specified topic;

b) use appropriate software in calculation and modelling of structures and properties of substances;

c) analyse information critically and provide a critical report;

d) work more effectively in a team;

f) orally present solutions to problems, and argue cases for a particular outcome.

How the module will be assessed

This module will be assessed continuously on the basis of written reports, samples of compounds prepared, spectroscopic and analytical data, and performance in the laboratory.  There will also be contributions from an oral presentation, and assessment of the performance of small groups of students in the commercialisation exercise .

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 90
laboratory work and written reports
N/A 1 N/A
Written Assessment 10
key skills exercises
N/A 1 N/A

Syllabus content

Synthetic chemistry will include the preparation of a range of compounds on small and medium scale. Batch and flow-type reactions will involve organic, organometallic and coordination compounds, manipulation of air-sensitive compounds, and characterisation and analysis using NMR, IR, UV and other techniques as appropriate.

Physical chemistry will include measuring fast kinetics using stopped flow methods, spectroscopy (rotation-vibration), surface analysis using data from x-ray photoelectron spectroscopy, scanning tunnelling microscopy and temperature programmed desorption and contact angle measurements.

Application of information technology in chemistry – molecular modelling.

Essential Reading and Resource List

An up-to-date indicative reading list will be included in the Course Handbook.

Background Reading and Resource List

An up-to-date indicative reading list will be included in the Course Handbook.

CH2306 - Application of Research Methods

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2306
External Subject CodeF100
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderPROFESSOR Philip Davies
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module of practical work develops and applies principles and techniques learnt in CH2301. New experimental techniques appropriate to synthetic and instrumental projects will be explored and the relationship between theory and experiment will be illustrated in a number of practically based problem-solving exercises.

On completion of the module a student should be able to

  1. Appreciate the context of selected areas of research;
  2. Use equipment appropriate to the experiments in a safe and correct way;
  3. Obtain and act upon safety and hazard information for chemicals.

How the module will be delivered

132 h Laboratory Classes (44 x 3 h)

Skills that will be practised and developed

The student will be able to:

Intellectual skills

  1. Interpret experimental data and make deductions in the light of an existing model for a system;
  2. Put new experimental data into the context of what was already known;
  3. Assess the current state of knowledge of a system from a literature survey.

Chemistry-specific skills

  1. Assess the risks associated with the use of chemicals and apparatus;
  2. Record experimental data in an organised manner and present a written report and oral discussion clearly and concisely;
  3. Competently carry out appropriate experiments to tackle a particular problem.

Transferable skills

  1. Prepare a concise account of previous work on a topic from a survey of the literature;
  2. Write an article suitable for publication in a peer-reviewed journal based on data derived in the laboratory and a literature survey;
  3. Prepare a video-based presentation on a chemistry topic.

How the module will be assessed

This module will be assessed continuously on the basis of written reports, samples of compounds prepared, spectroscopic and analytical data, and performance in the laboratory.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 90
laboratory work and written reports
N/A 1 N/A
Presentation 10
video presentation
N/A 1 N/A

Syllabus content

The module consists of short mini-research tasks. The student will typically undertake five or six of these tasks during the module and for each one submit a literature survey and a report on their own experimental results. The topics will cover areas of both synthetic and instrumental chemistry.

Essential Reading and Resource List

There is no indicative reading list associated with this module.

Background Reading and Resource List

There is no indicative reading list associated with this module.

CH2310 - Catalysis and Electrocatalysis

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2310
External Subject CodeF100
Number of Credits10
LevelL6
Language of DeliveryEnglish
Module LeaderDr Stuart Taylor
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module illustrates the wide range of catalysis and its relevance to industry and environmental matters, describes the mechanisms involved in catalysis at the molecular level, and illustrates the techniques available for the study of these processes.

On completion of the module a student should be able to

  1. describe the role of catalysts and discuss their uses in environmental and chemical manufacturing applications;
  2. compare and contrast heterogeneous catalysis and electrocatalysis;
  3. discuss the typical properties and preparation of a heterogeneous catalyst;
  4. calculate metal particle size for  chemisorption data;
  5. explain the importance of catalytic reactors for generating and converting syngas;
  6. discuss the different models advanced to account for heterogeneously catalysed reactions;
  7. understand the design of a polymer electrolyte membrane for a fuel cell;
  8. assess the catalytic methods used for generating and storing hydrogen for fuel cell systems;
  9. appreciate how synchrotron radiation can be used to study heterogeneous catalysts;
  10. discuss catalysis using gold for CO oxidation, VCM synthesis and selective oxidation.

How the module will be delivered

22 x 1 h Lectures, 3 x 1 h Workshops

Skills that will be practised and developed

Please see Learning Outcomes.

How the module will be assessed

A written exam (2 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops) will allow the student to demonstrate his/her ability to judge and critically review relevant information. 

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 70
catalysis and electrocatalysis
2 hrs 1 N/A
Written Assessment 30
workshops
N/A 1 N/A

Syllabus content

The module will begin by covering the basics and applications of catalysis, effects of catalysts on reaction rates and product distribution, requirements for practical catalysts, and the design of catalysts with attention to active phases, supports and promoters.

Examples include catalysts for (i) oxidation, including catalytic combustion; (ii) water gas shift; (iii) refining processes; (iv) removal of sulfur from fuels; (v) production and use of syngas, and catalytic routes to ammonia and methanol; (vi) pollution control with particular reference to car exhaust catalysts.

Fuel cells will also be covered. These devices offer energy efficient methods of power utilisation based on hydrogen and biofuels such as ethanol. The important electrocatalytic principles governing their mode of operation will be described, together with the associated catalytic technologies that can be used to produce and purify a hydrogen-rich feed stream.

The types of reactors used to apply heterogeneous catalysts will be introduced and the important features will be discussed.

A number of examples of different catalysts will be covered in case studies for a wide range of applications. An example will be the three-way catalytic converter for control of vehicle emissions, and another will cover the use of gold catalysts in different applications. Different types of heterogeneous catalysts, like zeolites, supported metals and metal oxides will be covered.

A number of techniques used to characterise heterogeneous catalysts will be introduced, with a particular focus on the use of synchrotron radiation.

Essential Reading and Resource List

Geoffrey C. Bond, C. Louis and D. T. Thompson, Catalysis by Gold,  Catalytic Science

J. M. Thomas, W. J. Thomas, Principles and Practice of Heterogeneous Catalysis, ISBN: 978-3-527-29239-4

G. Attard and C. Barnes, Surfaces, Oxford Chemistry Primers, 1998, ISBN 0198556861

M Bowker, The Basis and Applications of Heterogeneous Catalysis, Oxford Chemistry Primers, 1998, ISBN 0198559585

Background Reading and Resource List

See Essential Reading and Resource List

CH2317 - Chemical Biology III: Biosynthetic Approach To Natural Products

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2317
External Subject CodeF165
Number of Credits10
LevelL6
Language of DeliveryEnglish
Module LeaderDr James Redman
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module discusses the activity of enzymes: the chemistry of cofactors, the chemical consequences of interactions of multiple enzymes in biochemical pathways, primary metabolism, the biosynthesis of secondary metabolites and applications in medicinal chemistry.

This module illustrates how fundamentals of chemical structure and reaction mechanisms can be applied to the detailed understanding of biosynthesis. Principles of enzyme catalysis and cofactor chemistry will be discussed. This will lead to the connection of multiple enzymatic reactions in metabolic pathways. Examples of biosynthesis of natural products from primary and secondary metabolism will be introduced. Concepts for interference with biochemical pathways in medicinal chemistry will be described.

On completion of the module a student should be able to

  1. discuss the differences between primary and secondary metabolism;
  2. explain the physicochemical principles of enzyme catalysis;
  3. illustrate the types of enzymatic transformation involved in primary and secondary metabolism;
  4. discuss the chemistry of the cofactors TPP, NADH, FAD, PLP, SAM, ATP, biotin and CoA;
  5. outline the general biosynthetic pathways producing polyketide, terpenoid and alkaloid secondary metabolites;
  6. explain why organisms produce secondary metabolites and display an appreciation of why some of these are of interest from a medicinal and economic perspective.

How the module will be delivered

22 x 1 h Lectures, 3 x 1 h Workshops

Skills that will be practised and developed

On completion of the module the student should be able to:

Chemistry-specific Skills:

a) draw mechanisms for biochemical transformations using curly arrow notation;

b) distinguish between fatty acid, polyketide, terpenoid and alkaloid metabolites;

c) propose biosynthetic pathways for previously unseen natural products;

d) predict products and/or cofactor(s) of metabolic reactions given the structures of starting materials;

Transferable Skills:

a) use electronic and printed resources to extract relevant information;

b) report in writing on a topic studied.

How the module will be assessed

A written exam (2 h) will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework (workshops) will allow the student to demonstrate his/her ability to judge and critically review relevant information. 

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 30
workshops
N/A 1 N/A
Examination - Autumn Semester 70
chemical biology iii: biosynthetic approach to natural products
2 hrs 1 N/A

Syllabus content

Introduction to cofactors/coenzymes/prosthetic groups - metal ions, NADH, ATP, haem, flavins, PLP, thiamine, biotin, SAM.

Cofactors – mechanisms:

Flavins - dehydrogenases and oxidases (monoamine oxidase, acetylcoenzyme A dehydrogenase)

Pyridoxal phosphate - transaminases, decarboxylation of amino acids

Thiamine pyrophosphate - decarboxylation of alpha-keto acids.

Introduction to types of reactions in which these cofactors are involved - in terms of organic chemistry e.g. NADH = NaBH4

Fatty acid biosynthesis.

Secondary metabolites - biosynthesis of terpenes, alkaloids and polyketides.

The shikimate pathway and biosynthesis of aromatic amino acids.

Applications of secondary metabolites in medicine, agriculture and consumer products.

Essential Reading and Resource List

Chemical Aspects of Biosynthesis, Mann, OUP Primer, ISBN 0-19-855676-4

Background Reading and Resource List

The Organic Chemistry of Biological Pathways, McMurry and Begley, Roberts & Co. ISBN 0-9747077-1-6

An Introduction to Enzyme and Coenzyme Chemistry, Bugg, Blackwell Science, ISBN 1405114525

Principles of Biochemistry, 5th Ed, Nelson & Cox, Freeman, ISBN 0-7167-7108-X

CH2325 - Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2325
External Subject CodeF100
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module consists of a supervised research project. This may be in any area of practical or theoretical chemistry. The topics are allocated from a list to which all staff contribute, following student preference as far as possible. The project is completed by a written report which is followed by an oral examination.

On completion of the module a student should be able to

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. plan and compose a detailed report in standard format on all aspects of the project;
  5. defend the report in oral examination.

How the module will be delivered

132 (44 x 3 h) timetabled hours of supervised independent investigation

Skills that will be practised and developed

On completion of the module the student will be able to defend a case orally following detailed study.

How the module will be assessed

The module will be assessed on the basis of a written report, an oral (viva voce) examination, and performance in the laboratory.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
level 6 project for exchange students
N/A 1 N/A

Syllabus content

This double module consists of a single supervised research project.  This may be in any area of practical or theoretical chemistry, and will usually, but not always, involve experimentation.  The topic is allocated by the supervisor, who is chosen following student preference as far as possible.  The project is completed by a written report which is followed by an oral examination.

Essential Reading and Resource List

There is no indicative reading list for this module.

Background Reading and Resource List

There is no indicative reading list for this module.

CH2325 - Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2325
External Subject CodeF100
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module consists of a supervised research project. This may be in any area of practical or theoretical chemistry. The topics are allocated from a list to which all staff contribute, following student preference as far as possible. The project is completed by a written report which is followed by an oral examination.

On completion of the module a student should be able to

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. plan and compose a detailed report in standard format on all aspects of the project;
  5. defend the report in oral examination.

How the module will be delivered

132 (44 x 3 h) timetabled hours of supervised independent investigation

Skills that will be practised and developed

On completion of the module the student will be able to defend a case orally following detailed study.

How the module will be assessed

The module will be assessed on the basis of a written report, an oral (viva voce) examination, and performance in the laboratory.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
level 6 project for exchange students
N/A 1 N/A

Syllabus content

This double module consists of a single supervised research project.  This may be in any area of practical or theoretical chemistry, and will usually, but not always, involve experimentation.  The topic is allocated by the supervisor, who is chosen following student preference as far as possible.  The project is completed by a written report which is followed by an oral examination.

Essential Reading and Resource List

There is no indicative reading list for this module.

Background Reading and Resource List

There is no indicative reading list for this module.

CH3302 - Advanced Organometallic and Coordination Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3302
External Subject CodeF120
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderProfessor Christopher Morley
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

The first part of this module introduces students to the chemistry of the 2nd and 3rd row transition metals.  Advanced aspects of the electronic spectroscopy and magnetochemistry of transition metal compounds are then discussed  The second half of the module deals specifically with organotransition metal chemistry, covering structure and bonding, reaction mechanisms, and catalysis.

On completion of the module a student should be able to

  1. explain the lanthanide contraction, and its effect on the chemistry of the 2nd and 3rd row transition metals;
  2. describe and interpret trends in chemical behaviour across the transition series and down each periodic group;
  3. discuss the occurrence of metal-metal bonding in transition metal compounds;
  4. use simple bonding models to rationalise the structure and properties of di-, tri- and polynuclear systems;
  5. understand the Robin-Day classification of mixed valence species, and describe and rationalise the properties of examples of each class;
  6. calculate ligand field splitting (Δ) and Racah parameters for a variety of complexes from spectroscopic and/or magnetic data;
  7. calculate and/or justify the magnetic moment of a given transition metal complex;
  8. state the methods available to measure the magnetic properties of a compound and be aware of the advantages and disadvantages of each;
  9. relate d-configuration and geometry to the temperature-dependent behaviour of magnetic properties;
  10. recall the typical behaviour of non-dilute paramagnetic systems;
  11. predict the temperature-dependent behaviour of magnetic properties of a given complex, and predict the geometry from magnetic data;
  12. predict the interaction of paramagnetic centres in dimeric systems;
  13. describe how common classes of ligand bind to metals and effect electronic properties of metals in organometallic complexes;
  14. describe bonding schemes that exemplify π-bonding and σ-bonding between metals and ligands, and how different classes of ligands bond to metals;
  15. outline the fundamental reaction classes occurring in transition metal organometallic chemistry and relate these metal-mediated reaction steps to mechanism in catalytic processes;
  16. recognise substrate bonding in organometallic complexes and how metals activate substrate molecules;
  17. describe the influences upon reactivity of coordinated ligands as a result of bonding and electronic structure in organometallic compounds;
  18. describe the intrinsic differences between the bonding of transition metals to different classes of ligands relevant to organometallic systems (such as phosphine ligands, alkene ligands and carbon monoxide);
  19. describe the origins of the stabilisation of low oxidation state metal species bonded to π-acceptor ligands;
  20. recognise bonding/structure relationships in transition metal mediated reactions;
  21. explain how physical evidence can be used to support bonding theories;
  22. review and explain the appropriate synthetic methodologies used in order to form species with metal carbon bonds, and metal complexes relevant to the study of organometallic systems (e.g. metal phosphine complexes, metal carbonyls etc.).
  23. understand the fundamental organometallic reactions that underpin homogeneous catalysis;
  24. derive suitable catalytic cycles for major homogeneous processes;
  25. identify and understand the individual steps that make up any given catalytic cycle;
  26. appreciate the range of metals and ligands that can be employed in homogenous catalysis;
  27. understand the features of a ligand that are important for successful catalysis;
  28. understand metal-ligand complementarity;
  29. apply knowledge of the fundamental steps of homogeneous catalysis to the assessment of new reactions and/or catalysts;
  30. draw conclusions about reaction mechanisms from the combination of experimental and spectroscopic data.

How the module will be delivered

The module will be delivered in 44 1-hour lectures, 6 1-hour workshops and 4 1-hour tutorials.  There will also be a 2-hour revision session.

Skills that will be practised and developed

On completion of the module the student will be able to:

  1. apply knowledge to tackle problems of an unseen nature.
  2. appreciate the link between theoretical concepts and chemical problems;
  3. elucidate bonding and electronic structure in organometallic and coordination compounds and analyse how these influence reactivity.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 3
autumn semester tutorials
N/A 1 N/A
Written Assessment 12
autumn semester workshops
N/A 1 N/A
Written Assessment 3
spring semester tutorials
N/A 1 N/A
Written Assessment 12
spring semester workshops
N/A 1 N/A
Examination - Spring Semester 70
advanced organometallic and coordination chemistry
3 hrs 1 N/A

Syllabus content

Autumn

2nd and 3rd row transition metal coordination chemistry

Lanthanide contraction: origin and consequences.

Systematic survey of heavy transition metal compounds.

Trends in reactivity and structure of halides, oxides/oxoanions; more detailed look at representative compounds.

Mixed-valence species.

Metal-metal bonding

Syntheses, structures and metal-metal bonding in transition metal dimers, trimers and larger clusters.

Detailed discussion of rhenium- and molybdenum-based systems.

Multiple metal-metal bonds.

Electronic properties of stacked platinum complexes (e.g. Magnus’s salt) and anisotropic conduction.

Magnetochemistry

Magnetic properties of lower symmetry complexes:TBP, trigonal and trigonal prismatic.

Organometallic examples.

Non-dilute systems.

Multimetallic systems.

Exchange mechanisms: for design or for rationalising systems.

Exchange integral: measuring for d9 systems.

Complexes with co-ordinated radicals:

Innocent and non-innocent ligands.

Examples considering magnetic, electrochemical and EPR properties.

Orbital contributions:

Nature of A and E term complexes and TIP;

Nature of T terms: Kotani plots and their derivation.

Elucidation of geometry utilising magnetic data.

Effect of paramagnetism on NMR; contact shift; shift reagents; Evans’ method.

 

Spring

Structure and bonding in organometallic chemistry

Description of bonding models for π-acceptor ligands, including CO, alkenes (Dewar Chatt Duncanson model) and tertiary phosphines.

Physical evidence and consequences of bonding, applications of infrared spectroscopy.

Other σ-bonding ligands, e.g. N2, NO and O2 ligands.

Metal carbonyl complexes, preparation, properties and structure.

Bonding and structure in metal alkene complexes including conjugated anionic and polyalkene ligands and influences upon reactivity.

Metal alkyl compounds (carbon π-bonded compounds).

Metal carbon multiply bonded systems, carbene (Fischer type) and alkylidene/alkylidyne (Schrock type) compounds.

Examination of bonding models for these systems and relationships with experimentally observed reactivity, significance in applications (e.g. alkene metathesis).

Formation and properties of transition metal compounds with metal carbon bonds.

Transition metal hydrides and dihydrogen complexes.

Spectroscopic techniques of study of organometallic compounds (e.g. NMR etc.).

Mechanistic organometallic chemistry

Classic reaction pathways of organometallic compounds, introduction to catalytic cycles

Oxidative additions, reductive eliminations, migratory insertions, hydrogen migrations.

Reactions of metal-alkene, metal-CO and metal-alkyl complexes relevant to homogeneous catalysis and a discussion of mechanisms (hydrogenation, carbonylation, polymerisation, metathesis, cross-coupling, asymmetric catalysis).

Essential Reading and Resource List

There is no essential reading and resource list for this module.

Background Reading and Resource List

N N Greenwood & A Earnshaw, Chemistry of the Elements, 2nd Ed., Butterworth Heinemann, 1997

C E Housecroft & A Sharpe, Inorganic Chemistry, 4th Ed, Pearson, 2012

M Weller, T Overton, J Rourke & F Armstrong, Inorganic Chemistry, 6th Ed, OUP, 2015

F A Cotton, G Wilkinson C A Murillo & M Bochmann,  Advanced Inorganic Chemistry, 6th Ed, Wiley, 1999

C E Housecroft, The Heavier d-Block Metals, OUP, 1999

C J Jones, d- and f-Block Chemistry, RSC, 2001

M. Bochmann, Organometallics and Catalysis, OUP, 2014

A.F. Hill, Organotransition Metal Chemistry, RSC, 2002

R.H. Crabtree, The Organometallic Chemistry of the Transition Metals, 6th Ed, Wiley, 2014

CH3303 - Advanced Organic Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3303
External Subject CodeF160
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderDr Niklaas Buurma
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module shows: 1) how the concerted application of a collection of conceptual models and elementary reaction steps to problems in organic chemistry can provide a framework for understanding the bonding and reactivity of organic molecules; and 2) how modern reactions can be applied to the synthesis of target molecules.

On completion of the module a student should be able to

Knowledge and Understanding

  1. discuss the forces that control structure and reactivity of organic molecules;
  2. analyse problems in organic chemistry employing the experimental techniques and theoretical models that have led to our current understanding of structure and reactivity in organic chemistry;
  3. discuss the origins and consequences of the special reactivities of transient intermediates and propose how such transient intermediates might feature in organic reaction mechanisms;
  4. apply the knowledge acquired in the field to problems in neighbouring disciplines, such as chemical synthesis, chemical biology, and materials chemistry;
  5. judge the merit of proposed reaction mechanisms;
  6. explain the mechansims by which a series of reactions proceeds;
  7. understand the use of transition metal catalysts in organic synthesis;
  8. perform a retrosynthetic analysis and propose a forward synthesis for any given target molecule.

Intellectual Skills

  1. analyse the merit of proposed (reaction) mechanisms through the evaluation of the energetic viability of intermediates and activated complexes;
  2. design synthetic routes for target molecules based on an understanding of chemical reactivity and knowledge of organic reactions as taught in Years 1-3.

Discipline Specific (including practical) Skills

  1. decide which theoretical model is most appropriate for analysing a problem in organic structure or reactivity, and then apply that model to solve the problem;
  2. hypothesize whether a particular organic reaction is likely to involve a reactive intermediate, and if so, which type;
  3. predict the probable outcomes for a wide variety of chemical transformations of organic molecules;
  4. design syntheses of target molecules, including the use of protective groups as required for compatibility of reactivity.

How the module will be delivered

The module will be delivered in 44 1-hour lectures, 6 1-hour workshops (including online tests), and 4 1-hour tutorials.

Skills that will be practised and developed

Please see Learning Outcomes

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 12
spring semester workshops
N/A 1 N/A
Written Assessment 12
autumn semester workshops
N/A 1 N/A
Examination - Spring Semester 70
advanced organic chemistry
3 hrs 1 N/A
Written Assessment 3
autumn semester tutorials
N/A 1 N/A
Written Assessment 3
spring semester tutorials
N/A 1 N/A

Syllabus content

Autumn Semester

Revision and conceptual models for bonding and mechanism

Review of substitution (SN1 or SN2) and elimination (E1 or E2) reactions, additions to carbonyls, and electrophilic addition and substitution reactions

Curly arrows, valence bonds and molecular orbitals

Thermodynamic and kinetic constraints on mechanisms

Kinetic vs thermodynamic control

More-O’Ferrall-Jencks diagrams

Aldol reactions

Burgi-Dunitz trajectories

Conformational analysis and stereochemical representations

Zimmerman-Traxler model

Cyclisation reactions

Burgi-Dunitz trajectories and Baldwin’s rules

Ring strain

Solvent effects and non-covalent interactions

Hunter’s description of molecular interactions in solution

Hydrophobic interactions

Reactive intermediates

Carbocations: solvolysis reactions; CIRD; special salt effect; non-classical cations 

Carbanions: kinetic vs thermodynamic acidity, elimination reactions

FMO theory & pericyclic chemistry

Introduction to MO theory

Diels-Alder reaction; symmetry-allowed and symmetry-forbidden reactions, regioselectivity

Sigmatropic rearrangements; 1,n hydride shifts, Cope and Claisen rearrangements

Electrocyclic reactions

Photochemical processes; alkene dimerisation

 

Spring Semester

Retrosynthetic analysis

Introduction to disconnections and the logic of synthesis

C-X disconnections – halides, ethers, sulphides and amines and 1,2- & 1,3-difunctionalised compounds

C-C disconnections and synthesis using carbonyl group, including alkene synthesis, enolate alkylation selectivity

Synthesis of 1,3-, 1,4- and 1,5-dicarbonyl compounds

Use of protecting groups when chemoselectivity issues arise

Manipulation of double bonds, ring opening, ring expansion and ring formation techniques

Palladium-catalysed coupling methods

Disconnection for the synthesis of polyunsaturated systems

Definitions of Heck, Suzuki-Miyaura, Kumada, Negishi and Sonogashira methods

Catalytic cycle summary and key differences within these

Perspective on utility, practicalities etc.

Selected applications in synthesis, with emphasis on the retrosynthetic features

Precursor synthesis where appropriate

Metathesis

Definition and emphasis on catalyst types for both ring closure (ene-ene and ene-yne) and cross metathesis; experimental methods; brief mention of utility in polymer synthesis

Modern oxidative transformations

Epoxidation, SAE

Bis-hydroxylation; AD-mix; related osmylation methods; synthetic utility (examples); Baeyer-Villiger; allylic oxidation; Barton remote oxidation

Essential Reading and Resource List

There is no essential reading and resource list for this module.

Background Reading and Resource List

Organic Chemistry, 2nd Ed, J Clayden, N Greeves, S Warren, Oxford University Press, 2012.

CH3304 - Advanced Physical Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3304
External Subject CodeF170
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderDr James Platts
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

The module describes the fundamental properties of common materials, in particular the solid state, polymeric materials and their underlying theoretical basis. Knowledge of the structure of the solid state will lay the basis for a discussion of band theory within a series of theoretical models. Finally, the fundamental concepts in quantum and statistical mechanics will be presented, starting from solution of the Schrödinger equation for model systems, quantum mechanical aspects of atomic and molecular electronic structure, with particular reference to the Pauli Principle and Variation theorem. Statistical mechanics will be based around the definition of partition functions, and will employ such definitions in discussion of thermodynamics and kinetics.

On completion of the module a student should be able to

  1. discuss the application of band structure to understand the electronic structure of solids;
  2. describe how the band structure is affected by the introduction of an interface;
  3. describe the basic ideas behind the periodic quantum chemistry approach to theoretical analysis of solid state structure;
  4. understand the application of Bloch functions to obtain wavefunctions for periodic systems;
  5. understand the concept of reciprocal space in describing wavefunctions and use of sampling to determine approximate band structures;
  6. understand how and why the electrical, magnetic and optical properties of a molecular solid depend crucially on the crystal structure of the solid.
  7. know the form of the Schrödinger equation for model systems, and requirements for acceptable solutions
  8. explain the Born-Oppenheimer approximation and its use in electronic structure calculations;
  9. appreciate how the Pauli principle is applied to quantum mechanical treatment of atoms and molecules;
  10. understand the use of the Variation theorem in finding approximate solutions to the Schrödinger equation;
  11. describe the essential features of the Hartree-Fock method for atoms and molecules;
  12. define electron correlation, appreciate its importance in chemical phenomena, and discuss methods for its calculation;
  13. discuss the difference between time and ensemble averages and the role of the ergodic hypothesis;
  14. give definitions of the partition function for translational, rotational and vibrational degrees of freedom;
  15. calculate thermodynamic quantities such as internal energy, entropy and heat capacity from partition functions;
  16. understand the role of potential energy surfaces and partition functions in determining rates of reaction;
  17. use transition state theory to predict reaction rates from relevant molecular properties;
  18. find exact solutions of the Schrödinger equation for model systems;
  19. use computational methods to construct approximate wavefunctions and energies for chemical phenomena;
  20. critically assess methods for calculation of molecular electronic structure for different classes of problem.

How the module will be delivered

The module will be delivered in 42 1-hour lectures, 8 1-hour workshops, and 4 1-hour tutorials.

Skills that will be practised and developed

On completion of the module a student will be able to:

  1. apply fundamental theory to explain structures, properties and behaviour of solid materials;
  2. critically assess the methods and algorithms used to simulate a range of chemical problems, and to extract the associated numerical and statistical data analysis;
  3. apply the concepts and tools of statistical thermodynamics to chemical problems.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 12
spring semester workshops
N/A 1 N/A
Examination - Spring Semester 70
advanced physical chemistry
3 hrs 1 N/A
Written Assessment 3
spring semester tutorials
N/A 1 N/A
Written Assessment 12
autumn semester workshops
N/A 1 N/A
Written Assessment 3
autumn semester tutorials
N/A 1 N/A

Syllabus content

Band theory of solids

Band structure and its relationship to the electronic structure of solids

Band structure at interfaces

Periodic quantum chemistry approach for theoretical analysis of solid state structure

Bloch functions for wavefunctions for periodic systems

Reciprocal space and use of sampling to determine approximate band structures

 

Molecular Metals

Requirements for metallic conductivity

Band structure and rationalization of electrical conductivity in molecular solids

Examples of molecular metals

General considerations in the design of molecular metals

 

Molecular Superconductors

Fundamentals of superconductivity

BCS theory for Type I superconductors

Examples of molecular superconductors

Comparison with metallic and inorganic superconductors

 

Molecular Magnets

Fundamentals of magnetism

Intermolecular magnetic interactions

Examples of molecular magnets

 

Optical Properties of Molecular Solids

Fundamentals of linear optics

High refractive index materials

Applications of refraction and total internal reflection

Birefringent materials

Fundamentals of non-linear optics

Design and characterization of molecular non-linear optical materials

Examples of inorganic and molecular solids with applications in non-linear optics

 

Concepts in quantum mechanics

Review of basic concepts Hamiltonian, Schrödinger equation, operators and eigenvalues

Exact solutions for model problems: particle in 1D and 2D box, hydrogen atom

Approximate solutions for many-electron atoms: electron spin and the Pauli principle

Coulomb and exchange energies          

Variation theorem and calculation of approximate wavefunctions and energies

Angular momentum, atomic quantum numbers and their interpretation

Approximate solutions for molecules: Born-Oppenheimer approximation

LCAO approximation, Slater determinants and basis sets

Hartree-Fock and self-consistent field approach

MO diagrams

Electron correlation: definition of static and dynamic correlation; relevance to chemical phenomena

Post-HF (configuration interaction) and density functional theory (DFT) methods

 

Concepts in statistical mechanics

Review of basic concepts: probability, kinetic theory of gases; microstates; Boltzmann distribution

Definition of partition functions for translational, rotational and vibrational degrees of freedom

Thermodynamics from partition functions: internal energy, entropy and heat capacity

Systems composed of interacting objects (e.g. Ising model, diluted ideal gases)

Essential Reading and Resource List

There is no essential reading and resource list for this module.

Background Reading and Resource List

An indicative reading list will be given in lectures.

CH3307 - Advanced Spectroscopy and Diffraction

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3307
External Subject CodeF130
Number of Credits10
LevelL6
Language of DeliveryEnglish
Module LeaderProfessor Kenneth Harris
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module explains how detailed information about structure, stereochemistry and the behaviour of chemical species in solution and in the solid state can be obtained by using luminescence spectroscopy, electron paramagnetic resonance (EPR) spectroscopy and diffraction techniques (specifically X-ray diffraction, neutron diffraction and electron diffraction, as well as electron microscopy).

On completion of the module a student should be able to

  1. describe the principles of luminescence spectroscopy, EPR spectroscopy, X-ray diffraction, neutron diffraction, electron diffraction and electron microscopy;
  2. describe the different types of electronically excited states associated with organic and inorganic molecules;
  3. describe and interpret the key physical parameters that characterize different excited states;
  4. describe the processes that contribute to non-radiative deactivation (quenching) of excited states, including energy transfer mechanisms;
  5. understand different classifications of luminescence such as bio-, chemi- and electro-luminescence;
  6. apply knowledge of excited state molecules to various applications such as chemosensors and photodynamic therapy;
  7. describe the use of the spin Hamiltonian to interpret EPR spectra in solution and in the solid state;
  8. explain the major features of EPR spectra, and their correlations with structure;
  9. predict the appearance of EPR spectra of organic radicals and simple paramagnetic metal complexes;
  10. interpret isotropic and anisotropic EPR spectra, and assign structures;
  11. understand the fundamental processes involved in the interaction of X-rays, neutron beams and electron beams with solids;
  12. describe the fundamental similarities and differences between X-ray diffraction, neutron diffraction and electron diffraction;
  13. understand the types of information about solid state structures that can be obtained from X-ray diffraction, neutron diffraction and electron diffraction techniques;
  14. understand the basis of electron microscopy techniques;
  15. appreciate the specific areas of application of X-ray diffraction, neutron diffraction and electron diffraction techniques;
  16. formulate the optimum experimental strategy for exploring specific aspects of solid-state structure.

How the module will be delivered

The module will be delivered in 22 1-hour lectures and 3 1-hour workshops.

Skills that will be practised and developed

Interpretation of EPR spectra for paramagnetic species in solution and in the solid state;

Formulating optimum experimental strategies (involving the use of one or more of the X-ray diffraction, neutron diffraction, electron diffraction or electron microscopy techniques) for exploring specific aspects of solid-state structure.

On completion of the module a student will be able to select appropriate techniques for determination of structure in solution or in the solid state for a range of chemical situations, and to assess the advantages/disadvantages for each particular purpose.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 70
advanced spectroscopy and diffraction
2 hrs 1 N/A
Written Assessment 30
workshops
N/A 1 N/A

Syllabus content

This module describes the fundamentals and applications of luminescence measurements, EPR spectroscopy and diffraction techniques for the determination of structure and other chemical information. The topics covered in each section are as follows.

 

Luminescence Spectroscopy

Selection rules; quantized description; Jablonski.

Stokes shift; quantum yield; lifetimes.

Fluorescence; phosphorescence.

Types of chromophores; effect of structure on emission; donor-acceptor.

Energy transfer: Dexter versus Förster.

Quenching pathways: O2; photoinduced electron transfer.

Applications to coordination complexes: TM; lanthanides.

Chemosensors; imaging; LEDs; PDT.

Chemoluminescence; bioluminescence; electroluminescence.

 

EPR Spectroscopy

Basic principles of Electron Paramagnetic Resonance (EPR).

Origin and significance of the electron Zeeman and nuclear Zeeman effect.

Derivation of a simple spin Hamiltonian for a two spin system (S = ½, I = ½).

Interaction of the electron with its environment and the resulting anisotropy and symmetry effects in EPR spectra.

Applications of EPR for characterization of paramagnetic systems.

Analysis and interpretation of EPR spectra of organic radicals in solution plus main group radicals and transition metal ions in frozen solution. Interpretation of the spin Hamiltonian parameters g and A (hyperfine) values.

 

Diffraction Techniques

Fundamentals:

Properties of X-rays.

Properties of electron beams.

Properties of neutron beams.

Production of X-rays and other radiation (conventional sources and synchrotron radiation).

Fundamentals of diffraction by crystalline solids.

Applications, Scope and Limitations of Techniques:

X-Ray diffraction (XRD) – applications of X-ray diffraction, single-crystal versus powder X-ray diffraction, advantages of using synchrotron radiation, limitations of X-ray diffraction.

Neutron diffraction (ND) – applications of neutron diffraction, neutron diffraction versus X-ray diffraction.

Electron diffraction and electron microscopy – electron diffraction (ED), transmission electron microscopy (TEM), scanning electron microscopy (SEM), low energy electron diffraction (LEED).

Essential Reading and Resource List

D. W. Bruce, D. O’Hare, R. I. Walton (Editors), Structure from Diffraction Methods, Wiley, 2014.

J. P. Eberhart, Structural and Chemical Analysis of Materials, Wiley, 1991.

J. R. Lakowicz, Principles of Fluorescence Spectroscopy, Springer, 2007.

V. Chechik, E. Carter, D. Murphy, Electron Paramagnetic Resonance, OUP Primer, 2016.

Background Reading and Resource List

A. K. Cheetham, P. Day, Solid State Chemistry: Techniques, Oxford University Press, 1987.

A. R. West, Solid State Chemistry, Wiley, 1984.

P. W. Atkins, Physical Chemistry, 10th Edition, Oxford University Press, 2014.

P. Hore, Nuclear Magnetic Resonance, 2nd Edition, OUP Primer, 2015

CH3308 - Bioinorganic Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3308
External Subject CodeF120
Number of Credits10
LevelL6
Language of DeliveryEnglish
Module LeaderDr Ian Fallis
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

Many key processes in biology are enabled by metal ions such as calcium, iron, copper and zinc. In this module the biological functions of a wide range of elements are examined with a particular focus upon the functions of metal ions and their catalytic roles in biology. The module will correlate the fundamental coordination chemistry of metal ions to the wide range of redox, Lewis acidic and structural roles they play in biological structures.

On completion of the module a student should be able to

  1. Describe the range of functions of metal ions in biological systems.
  2. Explain types and classes of metal ligand interactions in metalloenzymes.
  3. Classify the types of metalloproteins and co-factors that incorporate transition metal and main group ions.
  4. Understand from an evolutionary perspective the need for transition metal ions in biological systems.
  5. Classify metalloenzymes by reaction type and illustrate with relevant examples.
  6. Understand the mechanisms of metalloenzyme promoted chemical transformations.
  7. Understand and illustrate the structural roles played by metal in biological environments.

How the module will be delivered

The module will be delivered in 22 1-hour lectures and 3 1-hour workshops.

Skills that will be practised and developed

On completion of the module a student will be able to:

  1. Classify complex systems;
  2. Analyse and understand the mechanisms in bioinorganic chemical systems;
  3. Correlate fundamental chemical properties of the elements with their roles in biological systems.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 70
bioinorganic chemistry
2 hrs 1 N/A
Written Assessment 30
workshops
N/A 1 N/A

Syllabus content

Essential Reading and Resource List

Bioinorganic Chemistry: Inorganic Elements in the Chemistry of Life - An Introduction and Guide by Wolfgang Kaim, Brigitte Schwederski and Axel Klein

Biochemistry: International Edition by J. M. Berg, J. L. Tymoczko and L. Stryer

Background Reading and Resource List

Further reading will be included in the Course Handbook.

CH3309 - Placement Experience

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3309
External Subject CodeF100
Number of Credits60
LevelL6
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module is taken by MChem students on placement abroad or in industry. The main feature will be a substantial project on a topic determined by the host, after discussion with the placement programme coordinator. This will be carried out on a timescale appropriate for the particular placement. The main report will be supplemented by a short placement review, describing the particular environment of the placement.

On completion of the module a student should be able to

show a detailed knowledge and understanding of the topic studied in the project.

How the module will be delivered

Students take this module whilst undertaking a placement abroad or in industry.  It consists primarily of project work supervised by the host.  The results are presented in a written report, and also in a seminar at Cardiff University.

Skills that will be practised and developed

Intellectual skills

  1. analyse an advanced topic and discuss and assess critically the significant issues;
  2. plan, execute and report on a complex activity.

Chemistry-specific skills

  1. search and select literature, study it and discuss critically in the context of the project undertaken;
  2. carry out an extended investigation of a chemical topic at the research forefront;
  3. record all working notes in an appropriate manner with reference to risk and hazard information where applicable.

Transferable skills

  1. analyse a large body of information, organise and prepare reports;
  2. present oral and written reports, and defend the report in oral examination.

How the module will be assessed

The module is assessed on the basis of a mark provided by the host, a written report (assessed independently by two members of staff in Cardiff), an oral presentation (assessed by a panel of Cardiff staff), and a written placement review.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Presentation 20
oral presentation
N/A 1 N/A
Written Assessment 25
assessment by host
N/A 1 N/A
Report 5
placement review
N/A 1 N/A
Report 50
written report
N/A 1 N/A

Syllabus content

The placement experience will be undertaken in the industrial or university host laboratory. The main feature will be a substantial project on a topic determined by the host, after discussion with the placement scheme coordinator. This will be carried out on a time scale appropriate for the particular placement, but is expected to take about 600 hours of student time, including all literature work, experimental research, preparation of presentation and written report. For academic placements, it is expected that all of the nominal 600 hours will be spent on the project in the research laboratory of the host. For the industrial placements, the aim is for a similar arrangement, but it is recognised that the nature of the host’s work may require this to be modified and directed work related to the host’s business may take up some of the time, though a substantial independent and original project must be included.

The main report will be supplemented by a short placement review, describing the particular environment of the placement - aspects of cultural differences in teaching and learning methods in host university, business aspects of the company for industrial placements.

Regular contact will be maintained throughout, primarily through the personal tutor, with involvement by the placement coordinator as necessary.

Essential Reading and Resource List

There is no specific reading and resource list for this module.

Background Reading and Resource List

There is no specific reading and resource list for this module.

CH3311 - Advanced Organometallic and Coordination Chemistry (for distance learners)

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3311
External Subject CodeF120
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderProfessor Christopher Morley
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module is only taken by students undertaking a placement abroad or in industry.  The first part of the module introduces students to the chemistry of the 2nd and 3rd row transition metals.  Advanced aspects of the electronic spectroscopy and magnetochemistry of transition metal compounds are then discussed  The second half of the module deals specifically with organotransition metal chemistry, covering structure and bonding, reaction mechanisms, and catalysis.

On completion of the module a student should be able to

  1. explain the lanthanide contraction, and its effect on the chemistry of the 2nd and 3rd row transition metals;
  2. describe and interpret trends in chemical behaviour across the transition series and down each periodic group;
  3. discuss the occurrence of metal-metal bonding in transition metal compounds;
  4. use simple bonding models to rationalise the structure and properties of di-, tri- and polynuclear systems;
  5. understand the Robin-Day classification of mixed valence species, and describe and rationalise the properties of examples of each class;
  6. calculate ligand field splitting (Δ) and Racah parameters for a variety of complexes from spectroscopic and/or magnetic data;
  7. calculate and/or justify the magnetic moment of a given transition metal complex;
  8. state the methods available to measure the magnetic properties of a compound and be aware of the advantages and disadvantages of each;
  9. relate d-configuration and geometry to the temperature-dependent behaviour of magnetic properties;
  10. recall the typical behaviour of non-dilute paramagnetic systems;
  11. predict the temperature-dependent behaviour of magnetic properties of a given complex, and predict the geometry from magnetic data;
  12. predict the interaction of paramagnetic centres in dimeric systems;
  13. describe how common classes of ligand bind to metals and effect electronic properties of metals in organometallic complexes;
  14. describe bonding schemes that exemplify π-bonding and σ-bonding between metals and ligands, and how different classes of ligands bond to metals;
  15. outline the fundamental reaction classes occurring in transition metal organometallic chemistry and relate these metal-mediated reaction steps to mechanism in catalytic processes;
  16. recognise substrate bonding in organometallic complexes and how metals activate substrate molecules;
  17. describe the influences upon reactivity of coordinated ligands as a result of bonding and electronic structure in organometallic compounds;
  18. describe the intrinsic differences between the bonding of transition metals to different classes of ligands relevant to organometallic systems (such as phosphine ligands, alkene ligands and carbon monoxide);
  19. describe the origins of the stabilisation of low oxidation state metal species bonded to π-acceptor ligands;
  20. recognise bonding/structure relationships in transition metal mediated reactions;
  21. explain how physical evidence can be used to support bonding theories;
  22. review and explain the appropriate synthetic methodologies used in order to form species with metal carbon bonds, and metal complexes relevant to the study of organometallic systems (e.g. metal phosphine complexes, metal carbonyls etc.).
  23. understand the fundamental organometallic reactions that underpin homogeneous catalysis;
  24. derive suitable catalytic cycles for major homogeneous processes;
  25. identify and understand the individual steps that make up any given catalytic cycle;
  26. appreciate the range of metals and ligands that can be employed in homogenous catalysis;
  27. understand the features of a ligand that are important for successful catalysis;
  28. understand metal-ligand complementarity;
  29. apply knowledge of the fundamental steps of homogeneous catalysis to the assessment of new reactions and/or catalysts;
  30. draw conclusions about reaction mechanisms from the combination of experimental and spectroscopic data.

How the module will be delivered

Students will study this module remotely, whilst undertaking a placement abroad or in industry.  They will be provided with learning resources, including electronic versions of lectures delivered in Cardiff, and required to complete regular assignments.

Skills that will be practised and developed

On completion of the module a student will be able to:

  1. apply knowledge to tackle problems of an unseen nature.
  2. appreciate the link between theoretical concepts and chemical problems;
  3. elucidate bonding and electronic structure in organometallic and coordination compounds and analyse how these influence reactivity.
  4. learn effectively from resources provided remotely.

 

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. A series of assignments will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Summer 50
advanced organometallic and coordination chemistry (for distance learners)
3 hrs 1 N/A
Written Assessment 50
assignments
N/A 1 N/A

Syllabus content

Autumn

2nd and 3rd row transition metal coordination chemistry

Lanthanide contraction: origin and consequences.

Systematic survey of heavy transition metal compounds.

Trends in reactivity and structure of halides, oxides/oxoanions; more detailed look at representative compounds.

Mixed-valence species.

Metal-metal bonding

Syntheses, structures and metal-metal bonding in transition metal dimers, trimers and larger clusters.

Detailed discussion of rhenium- and molybdenum-based systems.

Multiple metal-metal bonds.

Electronic properties of stacked platinum complexes (e.g. Magnus’s salt) and anisotropic conduction.

Magnetochemistry

Magnetic properties of lower symmetry complexes:TBP, trigonal and trigonal prismatic.

Organometallic examples.

Non-dilute systems.

Multimetallic systems.

Exchange mechanisms: for design or for rationalising systems.

Exchange integral: measuring for d9 systems.

Complexes with co-ordinated radicals:

Innocent and non-innocent ligands.

Examples considering magnetic, electrochemical and EPR properties.

Orbital contributions:

Nature of A and E term complexes and TIP;

Nature of T terms: Kotani plots and their derivation.

Elucidation of geometry utilising magnetic data.

Effect of paramagnetism on NMR; contact shift; shift reagents; Evans’ method.

 

Spring

Structure and bonding in organometallic chemistry

Description of bonding models for π-acceptor ligands, including CO, alkenes (Dewar Chatt Duncanson model) and tertiary phosphines.

Physical evidence and consequences of bonding, applications of infrared spectroscopy.

Other σ-bonding ligands, e.g. N2, NO and O2 ligands.

Metal carbonyl complexes, preparation, properties and structure.

Bonding and structure in metal alkene complexes including conjugated anionic and polyalkene ligands and influences upon reactivity.

Metal alkyl compounds (carbon π-bonded compounds).

Metal carbon multiply bonded systems, carbene (Fischer type) and alkylidene/alkylidyne (Schrock type) compounds.

Examination of bonding models for these systems and relationships with experimentally observed reactivity, significance in applications (e.g. alkene metathesis).

Formation and properties of transition metal compounds with metal carbon bonds.

Transition metal hydrides and dihydrogen complexes.

Spectroscopic techniques of study of organometallic compounds (e.g. NMR etc.).

Mechanistic organometallic chemistry

Classic reaction pathways of organometallic compounds, introduction to catalytic cycles.

Oxidative additions, reductive eliminations, migratory insertions, hydrogen migrations.

Reactions of metal-alkene, metal-CO and metal-alkyl complexes relevant to homogeneous catalysis and a discussion of mechanisms (hydrogenation, carbonylation, polymerisation, metathesis, cross-coupling, asymmetric catalysis).

Essential Reading and Resource List

There is no essential reading and resource list for this module.

Background Reading and Resource List

N N Greenwood & A Earnshaw, Chemistry of the Elements, 2nd Ed., Butterworth Heinemann, 1997

C E Housecroft & A Sharpe, Inorganic Chemistry, 4th Ed, Pearson, 2012

M Weller, T Overton, J Rourke & F Armstrong, Inorganic Chemistry, 6th Ed, OUP, 2015

F A Cotton, G Wilkinson C A Murillo & M Bochmann,  Advanced Inorganic Chemistry, 6th Ed, Wiley, 1999

C E Housecroft, The Heavier d-Block Metals, OUP, 1999

C J Jones, d- and f-Block Chemistry, RSC, 2001

M. Bochmann, Organometallics and Catalysis, OUP, 2014

A.F. Hill, Organotransition Metal Chemistry, RSC, 2002

R.H. Crabtree, The Organometallic Chemistry of the Transition Metals, 6th Ed, Wiley, 2014

CH3312 - Advanced Organic Chemistry (for distance learners)

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3312
External Subject CodeF160
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderDr Niklaas Buurma
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module shows: 1) how the concerted application of a collection of conceptual models and elementary reaction steps to problems in organic chemistry can provide a framework for understanding the bonding and reactivity of organic molecules; and 2) how modern reactions can be applied to the synthesis of target molecules.

The module is only taken by students undertaking a placement abroad or in industry. 

On completion of the module a student should be able to

Knowledge and Understanding

  1. discuss the forces that control structure and reactivity of organic molecules;
  2. analyse problems in organic chemistry employing the experimental techniques and theoretical models that have led to our current understanding of structure and reactivity in organic chemistry;
  3. discuss the origins and consequences of the special reactivities of transient intermediates and propose how such transient intermediates might feature in organic reaction mechanisms;
  4. apply the knowledge acquired in the field to problems in neighbouring disciplines, such as chemical synthesis, chemical biology, and materials chemistry;
  5. judge the merit of proposed reaction mechanisms;
  6. explain the mechanisms by which a series of reactions proceed;
  7. understand the use of transition metal catalysts in organic synthesis;
  8. perform a retrosynthetic analysis and propose a forward synthesis for any given target molecule.

Intellectual Skills

  1. analyse the merit of proposed (reaction) mechanisms through the evaluation of the energetic viability of intermediates and activated complexes;
  2. design synthetic routes for target molecules based on an understanding of chemical reactivity and knowledge of organic reactions as taught in Years 1-3.

Discipline Specific (including practical) Skills

  1. decide which theoretical model is most appropriate for analysing a problem in organic structure or reactivity, and then apply that model to solve the problem;
  2. hypothesize whether a particular organic reaction is likely to involve a reactive intermediate, and if so, which type;
  3. predict the probable outcomes for a wide variety of chemical transformations of organic molecules;
  4. design syntheses of target molecules, including the use of protective groups as required for compatibility of reactivity.

How the module will be delivered

Students will study this module remotely, whilst undertaking a placement abroad or in industry.  They will be provided with learning resources, including electronic versions of lectures delivered in Cardiff, and required to complete regular assignments.

Skills that will be practised and developed

On completion of the module a student will be able to:

  1.  learn effectively from resources provided remotely.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. A series of assignments will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 50
assignments
N/A 1 N/A
Examination - Summer 50
advanced organic chemistry (for distance learners)
3 hrs 1 N/A

Syllabus content

Autumn Semester

Revision and conceptual models for bonding and mechanism

Review of substitution (SN1 or SN2) and elimination (E1 or E2) reactions, additions to carbonyls, and electrophilic addition and substitution reactions

Curly arrows, valence bonds and molecular orbitals

Thermodynamic and kinetic constraints on mechanisms

Kinetic vs thermodynamic control

More-O’Ferrall-Jencks diagrams

Aldol reactions

Burgi-Dunitz trajectories

Conformational analysis and stereochemical representations

Zimmerman-Traxler model

Cyclisation reactions

Burgi-Dunitz trajectories and Baldwin’s rules

Ring strain

Solvent effects and non-covalent interactions

Hunter’s description of molecular interactions in solution

Hydrophobic interactions

Reactive intermediates

Carbocations: solvolysis reactions; CIRD; special salt effect; non-classical cations

Carbanions: kinetic vs thermodynamic acidity, elimination reactions

FMO theory & pericyclic chemistry

Introduction to MO theory

Diels-Alder reaction; symmetry-allowed and symmetry-forbidden reactions, regioselectivity

Sigmatropic rearrangements; 1,n hydride shifts, Cope and Claisen rearrangements

Electrocyclic reactions

Photochemical processes; alkene dimerisation

 

Spring Semester

Retrosynthetic analysis

Introduction to disconnections and the logic of synthesis

C-X disconnections – halides, ethers, sulphides and amines and 1,2- & 1,3-difunctionalised compounds

C-C disconnections and synthesis using carbonyl group, including alkene synthesis, enolate alkylation selectivity

Synthesis of 1,3-, 1,4- and 1,5-dicarbonyl compounds

Use of protecting groups when chemoselectivity issues arise

Manipulation of double bonds, ring opening, ring expansion and ring formation techniques

Palladium-catalysed coupling methods

Disconnection for the synthesis of polyunsaturated systems

Definitions of Heck, Suzuki-Miyaura, Kumada, Negishi and Sonogashira methods

Catalytic cycle summary and key differences within these

Perspective on utility, practicalities etc.

Selected applications in synthesis, with emphasis on the retrosynthetic features

Precursor synthesis where appropriate

Metathesis

Definition and emphasis on catalyst types for both ring closure (ene-ene and ene-yne) and cross metathesis; experimental methods; brief mention of utility in polymer synthesis

Modern oxidative transformations

Epoxidation, SAE

Bis-hydroxylation; AD-mix; related osmylation methods; synthetic utility (examples); Baeyer-Villiger; allylic oxidation; Barton remote oxidation

Essential Reading and Resource List

There is no essential reading and resource list for this module.

Background Reading and Resource List

Organic Chemistry, 2nd Ed, J Clayden, N Greeves, S Warren, Oxford University Press, 2012.

CH3313 - Advanced Physical Chemistry (for distance learners)

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3313
External Subject CodeF170
Number of Credits20
LevelL6
Language of DeliveryEnglish
Module LeaderDr James Platts
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

The module is only taken by students undertaking a placement abroad or in industry.  It describes the fundamental properties of common materials, in particular the solid state, polymeric materials and their underlying theoretical basis. Knowledge of the structure of the solid state will lay the basis for a discussion of band theory within a series of theoretical models. Finally, the fundamental concepts in quantum and statistical mechanics will be presented, starting from solution of the Schrödinger equation for model systems, quantum mechanical aspects of atomic and molecular electronic structure, with particular reference to the Pauli Principle and Variation theorem. Statistical mechanics will be based around the definition of partition functions, and will employ such definitions in discussion of thermodynamics and kinetics.

On completion of the module a student should be able to

  1. discuss the application of band structure to understand the electronic structure of solids;
  2. describe how the band structure is affected by the introduction of an interface;
  3. describe the basic ideas behind the periodic quantum chemistry approach to theoretical analysis of solid state structure;
  4. understand the application of Bloch functions to obtain wavefunctions for periodic systems;
  5. understand the concept of reciprocal space in describing wavefunctions and use of sampling to determine approximate band structures;
  6. understand how and why the electrical, magnetic and optical properties of a molecular solid depend crucially on the crystal structure of the solid;
  7. know the form of the Schrödinger equation for model systems, and requirements for acceptable solutions;
  8. explain the Born-Oppenheimer approximation and its use in electronic structure calculations;
  9. appreciate how the Pauli principle is applied to quantum mechanical treatment of atoms and molecules;
  10. understand the use of the Variation theorem in finding approximate solutions to the Schrödinger equation;
  11. describe the essential features of the Hartree-Fock method for atoms and molecules;
  12. define electron correlation, appreciate its importance in chemical phenomena, and discuss methods for its calculation;
  13. discuss the difference between time and ensemble averages and the role of the ergodic hypothesis;
  14. give definitions of the partition function for translational, rotational and vibrational degrees of freedom;
  15. calculate thermodynamic quantities such as internal energy, entropy and heat capacity from partition functions;
  16. understand the role of potential energy surfaces and partition functions in determining rates of reaction;
  17. use transition state theory to predict reaction rates from relevant molecular properties;
  18. find exact solutions of the Schrödinger equation for model systems;
  19. use computational methods to construct approximate wavefunctions and energies for chemical phenomena;
  20. critically assess methods for calculation of molecular electronic structure for different classes of problem.

How the module will be delivered

Students will study this module remotely, whilst undertaking a placement abroad or in industry.  They will be provided with learning resources, including electronic versions of lectures delivered in Cardiff, and required to complete regular assignments.

Skills that will be practised and developed

On completion of the module a student will be able to:

  1. apply fundamental theory to explain structures, properties and behaviour of solid materials;
  2. apply the concepts and tools of statistical thermodynamics to chemical problems;
  3. critically assess the methods and algorithms used to simulate a range of chemical problem, and to extract the associated numerical and statistical data analysis;
  4. learn effectively using resources provided remotely.

How the module will be assessed

Students will undertake a series of assignments throughout the year, which will allow them to demonstrate their ability to judge and critically review relevant information.  They return to Cardiff for a formal examination during the Resit period which will test their knowledge and understanding as elaborated under the learning outcomes.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Summer 50
advanced physical chemistry (for distance learners)
3 hrs 1 N/A
Written Assessment 50
assignments
N/A 1 N/A

Syllabus content

Band theory of solids

Band structure and its relationship to the electronic structure of solids

Band structure at interfaces

Periodic quantum chemistry approach for theoretical analysis of solid state structure

Bloch functions for wavefunctions for periodic systems

Reciprocal space and use of sampling to determine approximate band structures

 

Molecular Metals

Requirements for metallic conductivity

Band structure and rationalization of electrical conductivity in molecular solids

Examples of molecular metals

General considerations in the design of molecular metals

 

Molecular Superconductors

Fundamentals of superconductivity

BCS theory for Type I superconductors

Examples of molecular superconductors

Comparison with metallic and inorganic superconductors

 

Molecular Magnets

Fundamentals of magnetism

Intermolecular magnetic interactions

Examples of molecular magnets

 

Optical Properties of Molecular Solids

Fundamentals of linear optics

High refractive index materials

Applications of refraction and total internal reflection

Birefringent materials

Fundamentals of non-linear optics

Design and characterization of molecular non-linear optical materials

Examples of inorganic and molecular solids with applications in non-linear optics

 

Concepts in quantum mechanics

Review of basic concepts Hamiltonian, Schrödinger equation, operators and eigenvalues

Exact solutions for model problems: particle in 1D and 2D box, hydrogen atom

Approximate solutions for many-electron atoms: electron spin and the Pauli principle

Coulomb and exchange energies

Variation theorem and calculation of approximate wavefunctions and energies

Angular momentum, atomic quantum numbers and their interpretation

Approximate solutions for molecules: Born-Oppenheimer approximation

LCAO approximation, Slater determinants and basis sets

Hartree-Fock and self-consistent field approach

MO diagrams

Electron correlation: definition of static and dynamic correlation; relevance to chemical phenomena

Post-HF (configuration interaction) and density functional theory (DFT) methods

 

Concepts in statistical mechanics

Review of basic concepts: probability, kinetic theory of gases; microstates; Boltzmann distribution

Definition of partition functions for translational, rotational and vibrational degrees of freedom

Thermodynamics from partition functions: internal energy, entropy and heat capacity

Systems composed of interacting objects (e.g. Ising model, diluted ideal gases)

Essential Reading and Resource List

There is no essential reading and resource list for this module.

Background Reading and Resource List

An up-to-date background reading and resource list will be provided in lectures.

CH3325 - Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3325
External Subject CodeF100
Number of Credits30
LevelL6
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module consists of a supervised research project. This may be in any area of practical or theoretical chemistry. Supervisors are allocated following student preference as far as possible. Students give an oral presentation of their results and prepare a written report that is defended in an oral examination.

On completion of the module a student should be able to

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. present the results orally in a symposium;
  5. plan and compose a detailed report in standard format on all aspects of the project;
  6. defend the report in oral examination.

How the module will be delivered

132 (44 × 3 h) timetabled hours of supervised independent investigation

Skills that will be practised and developed

On completion of the module a student should be able to defend a case orally following detailed study.

How the module will be assessed

The module will be assessed on the basis of an oral presentation, a written report, an oral (viva voce) examination, and performance in the laboratory.

 

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 50
written report
N/A 1 N/A
Presentation 30
oral presentation and examination
N/A 1 N/A
Practical-Based Assessment 20
intellectual and/or practical contribution
N/A 1 N/A

Syllabus content

This module consists of a single supervised research project.  This may be in any area of practical or theoretical chemistry, and will usually, but not always, involve experimentation.  The topic is allocated by the supervisor, who is chosen following student preference as far as possible.  Students give an oral presentation of their results and prepare a written report that is defended in an oral examination. 

Essential Reading and Resource List

There is no essential reading and resource list for this module.

Background Reading and Resource List

There is no background reading and resource list for this module.

CH2401 - Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2401
External Subject CodeF100
Number of Credits40
LevelL7
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module is taken by MChem students who spent their third year in industry or abroad. It consists of a supervised research project spread over two semesters, selected from a portfolio prepared by members of staff from their own research interests. The work will include new studies, a literature survey, and preparation of a project report which will be examined orally. Candidates will also present a mid-project research colloquium.

On completion of the module a student should be able to

  1. describe in detail the chemistry of the chosen topic, including background information from the literature and new results;
  2. explain the chemistry underlying the chosen project.

How the module will be delivered

264 (12 h per week over 22 weeks, or 24 h per week over 11 weeks) timetabled hours of independent investigation, supervised by a member of academic staff.

Skills that will be practised and developed

Intellectual skills

On completion of the module the student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry –specific skills

On completion of the module the student will be able to:

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. plan and compose a detailed report in standard format on all aspects of the project;
  5. present a lecture about the work and answer questions;
  6. defend the report in oral examination.

Transferable skills

On completion of the module the student will be able to present and defend a case following detailed study.

How the module will be assessed

The module will be assessed on the basis of performance in the laboratory, a written report, an oral (viva voce) examination, and an oral presentation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
level 7 project for exchange students
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over two semesters, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report which will be examined orally. Candidates will present a mid-project research colloquium.

Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no indicative reading list for this module.

Background Reading and Resource List

There is no indicative reading list for this module.

CH2401 - Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2401
External Subject CodeF100
Number of Credits40
LevelL7
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module is taken by MChem students who spent their third year in industry or abroad. It consists of a supervised research project spread over two semesters, selected from a portfolio prepared by members of staff from their own research interests. The work will include new studies, a literature survey, and preparation of a project report which will be examined orally. Candidates will also present a mid-project research colloquium.

On completion of the module a student should be able to

  1. describe in detail the chemistry of the chosen topic, including background information from the literature and new results;
  2. explain the chemistry underlying the chosen project.

How the module will be delivered

264 (12 h per week over 22 weeks, or 24 h per week over 11 weeks) timetabled hours of independent investigation, supervised by a member of academic staff.

Skills that will be practised and developed

Intellectual skills

On completion of the module the student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry –specific skills

On completion of the module the student will be able to:

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. plan and compose a detailed report in standard format on all aspects of the project;
  5. present a lecture about the work and answer questions;
  6. defend the report in oral examination.

Transferable skills

On completion of the module the student will be able to present and defend a case following detailed study.

How the module will be assessed

The module will be assessed on the basis of performance in the laboratory, a written report, an oral (viva voce) examination, and an oral presentation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
level 7 project for exchange students
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over two semesters, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report which will be examined orally. Candidates will present a mid-project research colloquium.

Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no indicative reading list for this module.

Background Reading and Resource List

There is no indicative reading list for this module.

CH2401 - Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH2401
External Subject CodeF100
Number of Credits40
LevelL7
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module is taken by MChem students who spent their third year in industry or abroad. It consists of a supervised research project spread over two semesters, selected from a portfolio prepared by members of staff from their own research interests. The work will include new studies, a literature survey, and preparation of a project report which will be examined orally. Candidates will also present a mid-project research colloquium.

On completion of the module a student should be able to

  1. describe in detail the chemistry of the chosen topic, including background information from the literature and new results;
  2. explain the chemistry underlying the chosen project.

How the module will be delivered

264 (12 h per week over 22 weeks, or 24 h per week over 11 weeks) timetabled hours of independent investigation, supervised by a member of academic staff.

Skills that will be practised and developed

Intellectual skills

On completion of the module the student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry –specific skills

On completion of the module the student will be able to:

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. plan and compose a detailed report in standard format on all aspects of the project;
  5. present a lecture about the work and answer questions;
  6. defend the report in oral examination.

Transferable skills

On completion of the module the student will be able to present and defend a case following detailed study.

How the module will be assessed

The module will be assessed on the basis of performance in the laboratory, a written report, an oral (viva voce) examination, and an oral presentation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
level 7 project for exchange students
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over two semesters, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report which will be examined orally. Candidates will present a mid-project research colloquium.

Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no indicative reading list for this module.

Background Reading and Resource List

There is no indicative reading list for this module.

CH3401 - Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3401
External Subject CodeF100
Number of Credits60
LevelL7
Language of DeliveryEnglish
Module LeaderDr Ian Fallis
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module consists of a supervised research project spread over two semesters, selected from a portfolio prepared by members of staff from their own research interests. The work will include new studies, a literature survey, and preparation of a project report which will be examined orally. Candidates will also present a mid-project research colloquium.

On completion of the module a student should be able to

  1. describe in detail the chemistry of the chosen topic, including background information from the literature and new results;
  2. explain the chemistry underlying the chosen project.

How the module will be delivered

396 (18 h per week over 22 weeks) timetabled hours of independent investigation, supervised by a member of academic staff.

Skills that will be practised and developed

Intellectual skills

On completion of the module the student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry-specific skills

On completion of the module the student will be able to:

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. plan and compose a detailed report in standard format on all aspects of the project;
  5. present a lecture about the work and answer questions;
  6. defend the report in oral examination.

Transferable skills

On completion of the module the student will be able to present and defend a case following detailed study.

How the module will be assessed

The module will be assessed on the basis of performance in the laboratory, a written report, an oral presentation and an oral (viva voce) examination.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Presentation 20
oral presentation
N/A 1 N/A
Practical-Based Assessment 20
intellectual and/or practical contribution
N/A 1 N/A
Oral/Aural Assessment 20
oral examination
N/A 1 N/A
Dissertation 40
written report
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over two semesters, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report which will be examined orally. Candidates will present a mid-project research colloquium.

Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no indicative reading list for this module.

Background Reading and Resource List

There is no indicative reading list for this module.

CH3402 - Frontiers in Ligand Design and Coordination Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3402
External Subject CodeF120
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Benjamin Ward
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module will focus on the structure and design of ligands in the development of functional metal complexes.  Three areas will be covered, representing a cross section of pertinent problems in this area, these will be a) the development of catalysts based upon s and f block metals; b) the study of ligand dynamics and their influence on the structure and activity of metal complexes; and c) the stoichiometric and catalytic reactions of p-block elements.  The module will cover the synthesis of targeted ligand precursors, the coordination chemistry of these ligands, and their influence on specific types of reactivity.  Attention will be given to the analysis of structure-activity relationships.

On completion of the module a student should be able to

Knowledge

Understanding

How the module will be delivered

This module will be delivered in 10 two-hour lectures, supplemented by 4 1-hour class tutorials, and consists of three distinct blocks, each covering a different aspect of advanced ligand design and coordination chemistry. Each block will consist of lectures supported by an assessed piece of coursework.  The three blocks will mirror the three sections described above: (a) the development of catalysts based upon s and f block metals; (b) the study of ligand dynamics and their influence on the structure and activity of metal complexes; and (c) the stoichiometric and catalytic reactions of p-block elements .

Skills that will be practised and developed

Ability to analyse and review the details of ligand design and coordination chemistry, and relate these concepts to physical and chemical properties.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 3 short, problem-based pieces of work covering each of the three sub-topics.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 20
written assignments
N/A 1 N/A
Examination - Autumn Semester 80
frontiers in ligand design and coordination chemistry
2 hrs 1 N/A

Syllabus content

The applications of ligand design and coordination chemistry to a range of areas, including catalysis and bioinorganic chemistry, with an emphasis on the ability of controlling the properties and reactivity of metal complexes by ligand design.

The properties of d0 metals in polymerisation catalysis

A detailed mechanistic understanding of the properties and reactivity of d0 metal alkyl and alkyl cations will be discussed.  These complexes have most widely studied in the context of alkene polymerisation, and this type of reactivity will be used to exemplify the reactivity of d0 complexes.  The level of detail moves on from that covered in Year 3, encompassing the catalyst structures required for the production of stereospecific polymers.  This area will also cover the use of lanthanides in polymerisation catalysis, as well as the polymerisation of cyclic esters, commonly used as biodegradable polymers.

Heterofunctionalisation catalysis

The role of d0 metal complexes as catalysts for a range of organic transformations will be discussed, with particular focus on hydroamination, hydrogenation, hydrosilylation, hydrophosphination, and hydroboration.  A particular focus will be given to looking at the mechanisms of these reactions, for which there are less reaction steps possible (e.g. oxidative addition is precluded).

The applications of alkaline earth metals in catalysis

The quest for reducing the cost and environmental footprint of chemical processes has fuelled the development of catalysts based upon metals other than the Noble Metals (Pt, Ir, Rh, etc.).  The advent of the alkaline earth metals, particularly Mg and Ca, for catalytic processes will be discussed, including their role in hydroamination, hydrosilylation, and hydrogenation catalysis.  The scope and limitations, as well as catalytic reaction mechanisms will be covered.

Gold organometallic complexes

An overview of gold chemistry and related coordination and organometallic compounds. The properties of gold(I) and gold(III) complexes with different ligand systems will be discussed, with particular emphasis on biological and medicinal applications.

The following families of gold organometallic complexes will be presented:

- Gold N-Heterocyclic carbenes including detailed information on structure and reactivity. Introduction to N-Heterocyclic Carbenes (NHC) as ligands and their complexes with transition metals, providing knowledge of the routes to their synthesis as well as on their structure and stability.

- Different types of gold cyclometalated complexes (with C,N, C,N,N, and C,N,C ligands) with emphasis on the synthesis and reactivity, as well as on ligand design to fine tune stability in biological environment.

- Alkynyl gold complexes with focus on their electronic and luminescence properties, as well as on their applications in supramolecular architectures, catalysis, electronics and liquid crystals.

p-Block organometallics

Introduction to p-block organometallics, including structure and reactivity

Introduction to frustrated Lewis pairs (FLPs), and their role in catalysis

Essential Reading and Resource List

Organotransition Metal Chemistry, from Bonding to Catalysis (Hartwig)

The Organometallic Chemistry of the Transition Metals (Crabtree)

Advanced Inorganic Chemistry (Cotton, Wilkinson, Murillo, and Bochmann)

Background Reading and Resource List

Please see Essential Reading List.

CH3403 - Bio-imaging Applications of Coordination Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3403
External Subject CodeF120
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Simon Pope
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

The module consists of three main topics associated with the application of inorganic coordination compounds to biological and biomedical imaging: optical, magnetic resonance and radioimaging will be covered. The module will provide a brief technical background to each of the imaging modalities and then focus upon the use and application of metal coordination compounds in each. Aspects of synthesis, spectroscopic characterisation and molecular design will be described, and the ability to rationalise the relationship between complex structure and function (including the biological context) will be a fundamental focus.

On completion of the module a student should be able to

Knowledge

Understanding

How the module will be delivered

This module will be delivered in 10 two-hour lectures, supplemented by 4 1-hour class tutorials, and consists of three distinct blocks, each covering a different imaging modality and the type of metal complex that can be applied to it.  A series of lectures will introduce these topics. Three workshops will be used to introduce students to the state-of-the-art via the primary literature.

Skills that will be practised and developed

Ability to rationalise ligand structure, metal complex physical properties, biocompatibility and subsequent applications to a given imaging technique.

The engagement with the primary literature and an ability to scientifically critique published material will be developed.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 3 short, problem-based pieces of work (equally weighted).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
bio-imaging applications of coordination chemistry
2 hrs 1 N/A
Written Assessment 20
written assignments
N/A 1 N/A

Syllabus content

Optical imaging using Luminescence

Background on confocal fluorescence microscopy for cellular imaging

Background on photophysics – Stokes shift, Jablonski diagram, time resolved vs steady state measurements,  quenching pathways, types of emission, tuning emission through ligand design.

Types of TM-based lumophore including descriptions of ligand design, photophysics and applications to imaging and biocompatibility

                  - d6 Ru(II), Os(II), Re(I), Ir(III)

                  - d8 Pt(II)

                  - d10 Au(I)

Types of Ln(III)-based lumophore including descriptions of ligand design, photophysics and applications to imaging and biocompatibility

                  - visible emission using Eu(III) and Tb(III)

                  - near-IR emission using Nd(III) and Yb(III)

Magnetic Resonance Imaging and Contrast Agents

Background on magnetic resonance imaging. The history and the basic principles of the experiment.

Background on the fundamental properties and design of T1 and T2 contrast agents.

Types of complexes used for T1 contrast- lanthanide, transition metal and organic molecules.

Types of complexes used for T2 contrast- lanthanides and transition metal clusters.

Using CEST and PARACEST for imaging.

Assessing new contrast agents –solubility, stability and the NMRD.

Dual mode imaging and the theranostic approach.

Gamma Radio-Imaging via SPECT and PET

Background to gamma imaging – physical basis of the techniques, data capture and imaging
Single Photon Emission Tomography (SPECT)
Positron Emission Tomography (PET) -
general properties of PET/SPECT isotopes, half lives, imaging resolution, biological matching

Background to functional imaging vs. structural imaging –
organ perfusion imaging, inflammation imaging, bone imaging (SPECT)
biologically active PET probes (FDG, F-DOPA, etc.)

Ligand design for SPECT and PET isotopes and metal complexes –
Tc complexes for SPECT
Ga, Cu, Zr, Y complexes in PET

Essential Reading and Resource List

Principles of Fluorescence Microscopy, J.R. Lakowicz

Background Reading and Resource List

References to the primary literature will be given throughout the series of lectures.

CH3404 - Asymmetric Synthesis of Pharmaceuticals and Natural Products

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3404
External Subject CodeF160
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderProfessor Thomas Wirth
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module consists of a range of examples exposing the students to sophisticated methods in stereoselective synthesis. Building on previous knowledge, advanced methods for stereocontrol in total synthesis, preparation of enantiomerically pure drug molecules, development of stereoselective rearrangement processes as well as the introduction of various enabling technologies will be the main focus of this module. Throughout, the ability to extract stereochemically relevant information from complex syntheses will be a major focus.

On completion of the module a student should be able to

Knowledge

Understanding

How the module will be delivered

This module will be delivered in 10 two-hour lectures, supplemented by 4 1-hour class tutorials, and consists of three blocks, each covering a different aspect of asymmetric synthesis. An initial set of lectures will be used to revise already known principles and reactions and introduce novel methods that can be used to tackle certain problems in asymmetric synthesis together with their theoretical background and any strengths or weaknesses associated with them. These will be followed by three units in which such methods are applied to chemical problems.

Skills that will be practised and developed

Ability to analyse stereochemical problems and provide synthetic solutions.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 2 short, problem-based pieces of work (10% each).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
asymmetric synthesis of pharmaceuticals and natural products
2 hrs 1 N/A
Written Assessment 20
written assignments
N/A 1 N/A

Syllabus content

Alkene Functionalisations

Introduction to advanced asymmetric synthesis. Stereoselective functionalisations of double bonds: Briefly revising Sharpless AE and ADH, Jacobsen (year 3), then introduction of other electrophilic reagents including selenium- and iodine-based compounds.  Applications in total synthesis and the synthesis of bioactive compounds will be discussed.

Enabling Tools for Organic Synthesis

As synthesis moves in to the modern era so too does the way in which chemists can conduct chemistry. This part of the course introduces the technical considerations needed for using existing and futuristic synthesis tools such as microwave reactors, photochemical reactors, electrochemistry and continuous flow chemistry. Important factors are being considered when conducting reactions using these methods, there will also be a strong focus on the types of synthetic chemistry suited to these modes.

Organocatalysis

Organocatalysis is defined as the use of a sub-stoichiometric amount of an organic molecule to accelerate the rate of a chemical reaction. This part will serve as an introduction to the diverse and exciting field of organocatalysis and will specifically cover: a historical perspective; benefits and limitations; catalyst synthesis; covalent and non-covalent organocatalytic activation modes; selectivity (regio-, diastereo- and enantiocontrol); applications within industry; applications towards the synthesis of biologically active compounds.

Essential Reading and Resource List

An indicative reading and resource list will be provided in the first lecture.

Background Reading and Resource List

An indicative reading and resource list will be provided in the first lecture.

CH3405 - Advanced Techniques in Organic and Biological Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3405
External Subject CodeF160
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Niklaas Buurma
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

In this module, the application of physical techniques and artificially modified biomolecules to problems in structure and mechanism in organic and biological chemistry research will be discussed. Students will appreciate what information can be gained from each technique and learn how to plan experiments and interpret the resulting data for probing structure, dynamics and reactivity.

On completion of the module a student should be able to

 

How the module will be delivered

This module will be delivered in 10 two-hour lectures, supplemented by 3 1-hour class tutorials, covering different aspects of organic and biological chemistry. A series of lectures will introduce the methods that can be used to tackle problems in this area, analytical techniques involved and the theoretical background as well as any strengths or weaknesses associated with them. This will be further broadened and deepened in the class tutorials.

Skills that will be practised and developed

Solution of problems by application of knowledge from different areas of chemistry, physics and biology.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 3 problem-based pieces of work (6.67% each).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 20
written assignments
N/A 1 N/A
Examination - Autumn Semester 80
advanced techniques in organic and biological chemistry
2 hrs 1 N/A

Syllabus content

Principles of UV/Vis, fluorescence, FRET, and circular dichroism spectroscopies as used in biophysical studies. Solution calorimetric techniques, including DSC and ITC.

Surface plasmon resonance (SPR); SPR instrumentation; SPR methods for determining equilibrium constants and kinetics.

Applications of these techniques to the study of biomolecular structure and interactions, including data analysis and estimation of error margins.

Chemical synthesis of peptides; introduction to the need for, and strategies for production of modified peptides (labels, post-translational modifications); types of peptide modification, PTMs, unnatural amino acids, dyes/fluorophores; solid phase synthesis by the Fmoc method; orthogonal protecting groups (e.g. alloc, Dmab, ivDDE, Mtt) strategies for selective peptide modification; cyclic peptide synthesis, with a case study.

Introduction to protein engineering; rationale for engineering proteins and introduction to protein engineering strategies; de novo design, rational computational design; mutagenesis, protein libraries; screening for function – fluorescence, FACS; selection for function – affinity chromatography, phage display.

Light-responsive molecules; combinations of different synthetic and analytical methods in a biochemical research project; applications of photo-active proteins as nano-switches for biological and medical problems. Modern mass spectrometry instruments and methods for study of biomolecules.

Essential Reading and Resource List

Relevant chapters from textbooks, primary literature and reviews will be indicated in the course, and partially supplied as hand-outs or on Learning Central.

Background Reading and Resource List

Peptide synthesis and applications, John Howl, Humana Press, ISBN 9781588293176.

Relevant chapters from textbooks, primary literature and reviews will be indicated in the course, and partially supplied as hand-outs or on Learning Central.

CH3406 - Molecular Modelling

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3406
External Subject CodeF170
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderProfessor Peter Knowles
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module exposes students to the range of computational methods that can be applied to diverse chemical problems, from the structure and property of molecules to chemical thermodynamics, kinetics and reactivity. Methods for describing molecules, ranging from quantum chemical and molecular orbital methods for relatively small molecules to atomistic simulation of larger, more complex systems will be discussed. Throughout, the ability to extract chemically relevant properties from molecular modelling experiments will be a major focus.

On completion of the module a student should be able to

Knowledge

Understanding

How the module will be delivered

This module consists of five distinct blocks, each covering a different aspect of molecular modelling, delivered through four hours of lectures, and supplemented by class tutorials

Skills that will be practised and developed

Ability to analyse and critically assess various approaches to computational simulation of chemical systems.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 5 short, problem-based pieces of work (4% each) covering each of the five topics.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
molecular modelling
2 hrs 1 N/A
Written Assessment 20
problem-based assignments
N/A 1 N/A

Syllabus content

A selection of applications across the spectrum of molecular modelling techniques, including the structure and properties of molecules and their potential energy surfaces, chemical energetics and thermodynamics, chemical reactivity and kinetics.

Molecular Electronic Structure

Correlated wavefunction and density-functional methods; electromagnetic properties; excited states; intermolecular interactions

Model Force Fields

Parameterised forms for bonded interactions; functional forms and methods for parameterisation; specifics for non-bonded interactions: charges, multipoles, Leonard-Jones & Buckingham potentials; application to organic and inorganic systems

Electronic Structure for Catalysis Applications

Hartree-Fock and Density-Functional theories for periodic solids; molecular and dissociative adsorption

Statistical Mechanics and the Monte Carlo Method

The partition function and polymer conformations; classical partition functions; Monte Carlo method; radial distribution functions; thermodynamics of ensembles

Molecular Dynamics

Fundamentals of MD; Born-Oppenheimer, Ehrenfest and Car-Parrinello dynamics; time propagation algorithms; periodic boundary conditions; examples of applications

Essential Reading and Resource List

Molecular Modelling, Principles and Applications, Andrew Leach.

Introduction to Computational Chemistry, Frank Jensen.

Essentials of Computational Chemistry, Christopher J. Cramer.

Background Reading and Resource List

Please see Essential Reading List.

CH3407 - Advanced Materials

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3407
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Jonathan Bartley
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

The module aims to provide the student with an overview of the synthesis and applications of specific advanced materials in the modern chemical environment. The structure-function relationship in colloidal systems will the examined, with particular emphasis on the characterisation techniques used to investigate the structure of the colloid system. Selected case studies in the drug delivery area will also be covered. The characteristics and applications of reactions in the solid state will be discussed. Heterogeneous catalysts are also vital to the chemical industry, so the preparation, characterisation and applications of these advanced materials will also be treated in depth in the course.

On completion of the module a student should be able to

Knowledge

Understanding

Intellectual skills

How the module will be delivered

The module will be delivered in 10 two-hour lectures, supplemented by 4 one-hour class tutorials.

Skills that will be practised and developed

Reasoned understanding based on knowledge accumulated over the course of the degree, leading to prediction of system behaviour.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into three assessed workshops, one on each topic covered in the module.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 20
written assignments
N/A 1 N/A
Examination - Autumn Semester 80
advanced materials
2 hrs 1 N/A

Syllabus content

Colloidal systems: This part of the module will focus on structure-activity relationships in colloidal systems relevant to important applications in industry and healthcare, plus advanced methods used for their characterisation. Topics will include: advanced characterisation techniques, structure activity relationships in surfactants, polymer solutions, polymer particle interactions, polymer surfactant interactions and a case study – colloids in drug delivery.

Organic solid state reactivity: This part of the module will focus on differences between solution and solid state reactions, thermal reactions, photochemical reactions, reaction efficiency, reaction selectivity and stereochemical control. Topics will include the design of materials (structural requirements, synthons, supramolecular chemistry, crystal engineering), characterization techniques (application of IR, PXRD and SCXRD), green synthesis and reaction mechanism.

Synthesis of heterogeneous catalysts: This part of the module will focus on the synthesis of catalysts and supports. It will include case studies of different catalyst systems. Different synthesis methods will be introduced such as sol-gel, hard and soft templating, antisolvent precipitation to prepare bulk catalysts and supports. Methods of preparing supported catalysts will also be covered including impregnation, deposition-precipitation and the use of pre-formed sols.

Essential Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

Background Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

CH3408 - Modern Catalytic Processes

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3408
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Stanislaw Golunski
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module consists of lectures and class tutorials that will develop many of the fundamental concepts in catalysis, and show how they can be applied to some of the major challenges in chemistry, including:

·       Environmental protection (through control of NOx, VOC and CO emissions)

·       Re-designing manufacturing processes to improve efficiency and sustainability

·       Upgrading low-value and waste products

·       Transitioning from conventional catalysis to biocatalysis

·       Replacing supply-limited precious metal catalysts  by less rare materials

The content will draw strongly on the complementary fields of nanoscience, solid-state chemistry, surface science, organometallic chemistry, and synthetic organic chemistry. 

On completion of the module a student should be able to

·       Relate catalyst structure to surface reactivity during heterogeneous gas-phase redox reactions

·       Explain relevant theory such as electronic metal-support interaction

·       Compose hypotheses and propose detailed reaction mechanisms for homogeneous and biocatalytic reactions

·       Demonstrate understanding of new energy systems based on integrated catalytic components

·       Propose original catalytic solutions to real-world problems

How the module will be delivered

This module consists of 10 lectures (each 2 hours) and 4 interactive sessions (1 hour class tutorials).  The lectures will cover the 4 main themes that are listed under Syllabus Content.  The class tutorials will comprise analysis of research publications.   

Skills that will be practised and developed

The skills acquired will prepare the student for the application of the principles of ‘green catalysis’.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%).  The mark for coursework will be made up of the 4 individual marks (5% each) for the class tutorials.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 80
modern catalytic processes
2 hrs 1 N/A
Written Assessment 20
written assignments
N/A 1 N/A

Syllabus content

The syllabus will cover 4 main themes:

(i)            Catalysts for environmental protection -  Whereas the Year 3 Catalysis module focuses on a case study of the three-way catalytic converter for vehicle exhaust after treatment, this module concentrates mainly on treatment of emissions from stationary sources.  There is particular emphasis on the fundamental aspects of the chemistry, in respect to catalyst preparation, microscopic, macroscopic and surface structure, and probing the catalytic mechanism.

(ii)          Enzyme utility in the production of organic chemicals - The focus in this part of the module is on assessing the advantages of using enzymes, particularly the unparalleled rate accelerations and the enhanced enantio/diastereoselectivity that can be achieved.  The module will look at kinetic resolutions, dynamic kinetic resolutions and desymmetrisation reactions, with esterases/lipases featuring mostly. 

(iii)         Homogeneous catalysis in the 21st century  - This part of the module considers how established homogeneous catalytic systems can be improved in terms of both cost and environmental impact.  In particular, application of the principles of ‘green catalysis’ will be emphasised with regard to the nature of the catalyst, the chemical process itself and greener alternatives to established materials.

(iv)         Catalysts for future processes - Starting from the underlying nature of metal-support interactions, the effects of composition and structure on surface reactivity of heterogeneous catalysts are examined.  These correlations are applied to the design of catalysts for new uses, such as energy transformations and waste heat recovery.

Essential Reading and Resource List

 ‘Handbook of Green Chemistry – Green Catalysis’: Vol. 1 Homogeneous Catalysis; Vol. 2 Heterogeneous Catalysis; Vol. 3 Biocatalysis, eds. P. Anastas and R.H. Crabtree, Wiley VCH, 2009

‘Modern Biocatalysis’, eds. W.-D. Fesner and T. Anthonsen, Wiley-VCH, 2009

‘Expanding the organic toolbox: a guide to integrating biocatalysis in synthesis’ C.M. Clouthier and J.N. Pelletier, Chem. Soc. Rev., 2012, 41, 1585-1605

Background Reading and Resource List

Please see Essential Reading List.

CH3409 - Chemistry at Phase Boundaries

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3409
External Subject CodeF170
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderPROFESSOR Philip Davies
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

Spectroscopy is one of the central pillars of chemistry, providing essential information on the reactants, products and critically, intermediates, involved in every chemical reaction studied. In this module, we discuss applications of spectroscopy across a very broad range of fields with a particular emphasis on interfacial and atmospheric processes where Cardiff has particular expertise. The module describes some aspects of the cutting edge of research being undertaken in the School and discusses the unique tools being exploited at Cardiff to investigate these areas.

On completion of the module a student should be able to

How the module will be delivered

The module will be delivered in 10 two-hour lectures, supplemented by 4 one-hour class tutorials.

Skills that will be practised and developed

Please see Learning Outcomes.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 80
chemistry at phase boundaries
2 hrs 1 N/A
Written Assessment 20
written assignments
N/A 1 N/A

Syllabus content

Gas phase spectroscopy and dynamics

Fundamental principles of interface spectroscopy and microscopy

Vibrational spectroscopy at surfaces and interfaces

Essential Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

Background Reading and Resource List

  1. C. Banwell and E. Mccash, Fundamentals for Molecular Spectroscopy, McGraw-Hill Higher Education, London ; New York, 4 edition., 1994.
  2. R. Schinke, Photodissociation dynamics, Cambridge University Press, Cambridge, UK, 1993
  3. G. Attard and C. Barnes, Surfaces, Oxford University Press, USA, Oxford ; New York, 1998.
  4. R. M. Nix, Surface Analytical Techniques, Queen Mary, University of London http://www.chem.qmul.ac.uk/surfaces/scc/

CH3410 - Advanced Magnetic Resonance Spectroscopy: Principles and Applications

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3410
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderProfessor Damien Murphy
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

Magnetic resonance techniques, including NMR and EPR, are extremely powerful tools for investigating the structure and dynamics of molecules. This module offers the student the opportunity to study the underlying physical principles of NMR and EPR in both liquid and solid state, and the surrounding magnetic interactions that determine the appearance of the experimental spectra. Coverage of conventional principles in magnetic resonance, showing how the resonance frequency of a nucleus (or electron) is affected not only by the applied field but also by the electronic environment and surrounding nuclei, will be presented to the students. Subsequently the more modern versions of NMR and EPR, based on pulses of EM radiation, will be covered. The basic mathematical principles of the pulse sequences enabling more elaborate NMR experiments to be performed, will be treated, showing how these techniques are necessary to characterise particularly complex systems, such as those encountered in chemical biology. Particular emphasis will be devoted to NMR and EPR/ENDOR analysis of solid state spectra. The anisotropic interactions responsible for the broad and more complex spectral line shapes experienced in the solid state (compared to the isotropic profiles experienced in the liquid state) will be treated using a series of examples. The advanced methodology of angular selective ENDOR, used to analyse and extract structural information, for paramagnetic species in frozen solution, will also be treated.

On completion of the module a student should be able to

How the module will be delivered

The module will be delivered in 10 two-hour lectures, supplemented by 4 one-hour class tutorials.

Skills that will be practised and developed

On completion of the module a student should be able to:

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 3 short, problem-based pieces of work covering each of the three sub-topics.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 20
written assignments
N/A 1 N/A
Examination - Spring Semester 80
advanced magnetic resonance spectroscopy: principles and applications
2 hrs 1 N/A

Syllabus content

Principles of NMR methodology: The vector model and product operators, building of complex pulse sequences from simpler blocks (eg., spin echo, INEPT, HSQC, 3D/4D multinuclear experiments), decoupling techniques, solvent suppression, the NOE, pulsed field gradients (leading into heavier PFG techniques and DOSY), shaped pulsed and selective excitation, relaxation experiments, protein NMR.

Foundations in Solid State NMR: This part of the course will provide an introduction to solid-state NMR spectroscopy, focusing initially on relevant theoretical background and experimental techniques. The discussion of background theory will highlight the significant differences between solid-state NMR and liquid-state NMR, focusing on the main anisotropic NMR interactions that are important in the solid state. The discussion of experimental strategies will then focus on the techniques for recording: (a) broad-line solid-state NMR spectra (in which the anisotropic NMR interactions are studied), and (b) high-resolution solid-state NMR spectra (in which the aim is to record narrow-line spectra that resemble those recorded in liquid-state NMR). The course will then build upon these foundations by discussing the applications of solid-state NMR to investigate structural and dynamic properties of solids, highlighting the scope and limitations of different types of solid-state NMR technique. Several recent examples of the application of solid-state NMR to solve problems in solid-state and materials chemistry will be presented. Students attending the course will emerge with an appreciation of the types of problem that can be tackled successfully by solid-state NMR, and the particular NMR technique (or combination of techniques) is most suitable for investigating each type of problem.

Angular Selective ENDOR: Finally, the theory and applications of angular selective ENDOR will be presented to the students. The basic principles underlying the EPR technique will be covered, including coverage of the form of the spin Hamiltonian for systems in the solid state. Anisotropy of the g and A hyperfine tensors, and the role of symmetry as manifested in the g/A frame will be presented to the students. Examination of the profiles of EPR spectra in the solid state will then be covered. The lectures will then cover the theory of ENDOR, with particular emphasis on the saturation and relaxation pathways important in this technique. The role of angular selection as a means of determining structural information for paramagnetic centres in the solid state will then be given. Examples of systems with low g anisotropy (no hyperfine interaction) leading to powder ENDOR patterns, and subsequently axial g anisotropy and axial hyperfine, leading so ‘single crystal-like’ ENDOR patterns will then be investigated. The students will then appreciate the experimental approaches taken to obtain EPR and ENDOR spectra of paramagnetic centres in the solid state (primarily in frozen solution) and the general methodologies subsequently involved in the analysis and understanding of the experimental data.

Essential Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

Background Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

CH3411 - Catalytic Materials for Green Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH3411
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Willock
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module will cover the synthesis, characterisation and simulation of the catalytic materials that find applications in the Green Chemistry and energy sectors. The current trend in chemistry to reduce our dependence on fossil sources of carbon for chemicals and fuels is giving rise to a whole new set of challenges in catalysis. We will survey the synthesis of catalysts and applications that these materials are put to. We will also show how careful characterisation and simulation approaches can give a structure/activity level of understanding in heterogeneous catalysis that helps to design and optimise catalytic materials.

On completion of the module a student should be able to

How the module will be delivered

The module will be delivered through 10 x 2 hr lectures and 4 class tutorials leading into self-learning activities to enhance student understanding and skills in the areas covered by the module. Students will have the opportunity to explore these aspects through independent learning activities alongside the lectures presenting the required material.

Skills that will be practised and developed

Students will have the opportunity to develop their critical analysis and problem solving skills, dealing with data from a variety of methods to come to a rounded understanding of catalyst structure, materials properties and mode of operation in key catalytic processes.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into four short, problem-based pieces of work covering different sub-topics.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 20
workshops
N/A 1 N/A
Examination - Autumn Semester 80
catalytic materials for green chemistry
2 hrs 1 N/A

Syllabus content

The module will cover the synthesis of catalytic materials for Green Chemistry and energy sectors. The characterisation methods used to measure properties such as the solid phases present, the effective surface area of catalysts and spectroscopic inspection of working catalysts will be addressed. The overall aim of the module is to demonstrate how materials characterisation and simulation can help to inform a mechanistic understanding of heterogeneous catalysis for key reactions.

Essential Reading and Resource List

Most of the concepts in this module are covered in any standard Physical Chemistry textbook such as:

Physical Chemistry, 10th Edition, P Atkins and J de Paula, OUP

Background Reading and Resource List

Catalytic Chemistry, B Gates

Principles and Practice of Heterogeneous Catalysis, J M Thomas and W Thomas

Fundamental Concepts in Heterogeneous Catalysis, J K Norskov and F Studt

CH7401 - One Semester Project For Exchange Students

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH7401
External Subject CodeF100
Number of Credits60
LevelL7
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module is only available to exchange students.  A student taking this module will gain experience of original research, and have the opportunity to put into safe practice the previous training in techniques and methods of chemistry, and to produce a dissertation to a professional standard including review of appropriate literature.

On completion of the module a student should be able to

  1. describe in detail the chemistry of the chosen topic, including background information from the literature and new results;
  2. explain the chemistry underlying the chosen project.

How the module will be delivered

The student will undertake a project in a research laboratory under the supervision of a member of academic staff.  The results will be presented in a written report.

Skills that will be practised and developed

Intellectual skills

On completion of the module the student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry–specific skills

On completion of the module the student will be able to:

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. plan and compose a detailed report in standard format on all aspects of the project.

Transferable skills

On completion of the module the student will be able to present and defend a case following detailed study.

How the module will be assessed

Assessment will be based both on performance in the laboratory and the quality of the written report.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
one semester project for exchange students
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over a single semester, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report.

Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no specific reading and resource list for this module.

Background Reading and Resource List

There is no specific reading and resource list for this module.

CH7401 - One Semester Project For Exchange Students

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH7401
External Subject CodeF100
Number of Credits60
LevelL7
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module is only available to exchange students.  A student taking this module will gain experience of original research, and have the opportunity to put into safe practice the previous training in techniques and methods of chemistry, and to produce a dissertation to a professional standard including review of appropriate literature.

On completion of the module a student should be able to

  1. describe in detail the chemistry of the chosen topic, including background information from the literature and new results;
  2. explain the chemistry underlying the chosen project.

How the module will be delivered

The student will undertake a project in a research laboratory under the supervision of a member of academic staff.  The results will be presented in a written report.

Skills that will be practised and developed

Intellectual skills

On completion of the module the student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry–specific skills

On completion of the module the student will be able to:

  1. plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;
  2. select source literature and place it within the context of the project, with critical assessment of preceding work;
  3. record all working notes in an appropriate manner, with reference to risk and hazard where applicable;
  4. plan and compose a detailed report in standard format on all aspects of the project.

Transferable skills

On completion of the module the student will be able to present and defend a case following detailed study.

How the module will be assessed

Assessment will be based both on performance in the laboratory and the quality of the written report.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
one semester project for exchange students
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over a single semester, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report.

Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no specific reading and resource list for this module.

Background Reading and Resource List

There is no specific reading and resource list for this module.

CH8401 - Long Project For Exchange Students

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH8401
External Subject CodeF100
Number of Credits120
LevelL7
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module is only available to exchange students.  A student taking this module will gain experience of original research, and have the opportunity to put into safe practice the previous training in techniques and methods of chemistry, and to produce a dissertation to a professional standard including review of appropriate literature.

On completion of the module a student should be able to

a) describe in detail the chemistry of the chosen topic, including background information from the literature and new results;

b) explain the chemistry underlying the chosen project.

How the module will be delivered

The student will undertake a project in a research laboratory under the supervision of a member of academic staff.  The results will be presented in a written report.

Skills that will be practised and developed

Intellectual skills

The student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry –specific skills

The student will be able to:

a) plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;

b) select source literature and place it within the context of the project, with critical assessment of preceding work;

c) record all working notes in an appropriate manner, with reference to risk and hazard where applicable;

d) plan and compose a detailed report in standard format on all aspects of the project.

Transferable skills

The student will be able to present and defend a case following detailed study.

How the module will be assessed

Assessment will be based both on performance in the laboratory and the quality of the written report.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
long project for exchange students
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over a full academic year, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report. Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no reading list associated with this module.

Background Reading and Resource List

There is no reading list associated with this module.

CH9401 - Short Project For Exchange Students

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH9401
External Subject CodeF100
Number of Credits30
LevelL7
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module is only available to exchange students.  A student taking this module will gain experience of original research, and have the opportunity to put into safe practice the previous training in techniques and methods of chemistry, and to produce a dissertation to a professional standard including review of appropriate literature.

On completion of the module a student should be able to

a) describe in detail the chemistry of the chosen topic, including background information from the literature and new results;

b) explain the chemistry underlying the chosen project.

How the module will be delivered

The student will undertake a project in a research laboratory under the supervision of a member of academic staff.  The results will be presented in a written report.

Skills that will be practised and developed

Intellectual skills

The student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry –specific skills

The student will be able to:

a) plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;

b) select source literature and place it within the context of the project, with critical assessment of preceding work;

c) record all working notes in an appropriate manner, with reference to risk and hazard where applicable;

d) plan and compose a detailed report in standard format on all aspects of the project.

Transferable skills

The student will be able to present and defend a case following detailed study.

How the module will be assessed

Assessment will be based both on performance in the laboratory and the quality of the written report.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
short project for exchange students
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over a single semester, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report. Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no reading list associated with this module.

Background Reading and Resource List

There is no reading list associated with this module.

CH9401 - Short Project For Exchange Students

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCH9401
External Subject CodeF100
Number of Credits30
LevelL7
Language of DeliveryEnglish
Module LeaderDr Athanasia Dervisi
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module is only available to exchange students.  A student taking this module will gain experience of original research, and have the opportunity to put into safe practice the previous training in techniques and methods of chemistry, and to produce a dissertation to a professional standard including review of appropriate literature.

On completion of the module a student should be able to

a) describe in detail the chemistry of the chosen topic, including background information from the literature and new results;

b) explain the chemistry underlying the chosen project.

How the module will be delivered

The student will undertake a project in a research laboratory under the supervision of a member of academic staff.  The results will be presented in a written report.

Skills that will be practised and developed

Intellectual skills

The student will be able to show a detailed and advanced mastery of a specific topic at the research frontier level.

Chemistry –specific skills

The student will be able to:

a) plan and carry out an original investigation in a topic from any part of practical or theoretical chemistry;

b) select source literature and place it within the context of the project, with critical assessment of preceding work;

c) record all working notes in an appropriate manner, with reference to risk and hazard where applicable;

d) plan and compose a detailed report in standard format on all aspects of the project.

Transferable skills

The student will be able to present and defend a case following detailed study.

How the module will be assessed

Assessment will be based both on performance in the laboratory and the quality of the written report.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 100
short project for exchange students
N/A 1 N/A

Syllabus content

This module consists of one supervised research project spread over a single semester, in any suitable area of chemistry. The work will include new studies, a literature survey, and preparation of a project report. Topics will normally involve practical laboratory work, but projects with a large theoretical component are also possible, in appropriate areas.

Essential Reading and Resource List

There is no reading list associated with this module.

Background Reading and Resource List

There is no reading list associated with this module.

CHT008 - Research Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT008
External Subject CodeF100
Number of Credits60
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterDissertation Semester
Academic Year2016/7

Outline Description of Module

This module aims to introduce students to working in an active research environment, allowing them to apply the knowledge gained in the taught portion of the programme to a problem of current interest. Practical skills such as project planning, literature searching, scientific writing, and presentation will form a large part of the module, along with a deeper understanding of the particular subject matter involved.

On completion of the module a student should be able to

  1. Review current literature on a specified topic, using traditional and electronic media, and hence assess the viability and necessary resources for a project.
  2. Produce a research plan, including milestones and timing, and implement this plan over the course of a project
  3. Write a detailed report on a piece of research, in the form of, and of a standard suitable for publication in a peer-reviewed journal
  4. Present the major findings of their research to an audience of peers and interested non-specialists
  5. Indicate briefly how their research might be followed up, and produce an outline research proposal for a subsequent project

How the module will be delivered

Students will undertake a research project in an area of current interest under the supervision of a member of academic staff, and present their findings orally and in writing.

Skills that will be practised and developed

Skills in experimental work, project planning, literature searching, scientific writing, and presentation.

How the module will be assessed

The module will be assessed by a combination of an oral examination (20%), a dissertation (50%), an oral presentation (20%), and the supervisor's report (10%).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Presentation 20
oral presentation
N/A 1 N/A
Oral/Aural Assessment 20
oral examination
N/A 1 N/A
Practical-Based Assessment 20
supervisor's report
N/A 1 N/A
Dissertation 40
written report
N/A 1 N/A

Syllabus content

Literature review on background and related current work; Project planning, including overall goals and individual milestones and timings.

Familiarisation with specific laboratory and/or computational techniques required for project; Application to preliminary problems, and assessment of viability of project goals and timing.

Application to full scale research problems; Recording, analysis, and interpretation of results.

Review of project goals and milestones in the light of initial results; Re-draft of project plan

Drafting, revision, and final presentation of dissertation; Oral presentation of results, with question & answer session; Outline of proposal for subsequent research.

Essential Reading and Resource List

There is no specific reading list associated with this module.

Background Reading and Resource List

There is no specific reading list associated with this module.

CHT008 - Research Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT008
External Subject CodeF100
Number of Credits60
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterDissertation Semester
Academic Year2016/7

Outline Description of Module

This module aims to introduce students to working in an active research environment, allowing them to apply the knowledge gained in the taught portion of the programme to a problem of current interest. Practical skills such as project planning, literature searching, scientific writing, and presentation will form a large part of the module, along with a deeper understanding of the particular subject matter involved.

On completion of the module a student should be able to

  1. Review current literature on a specified topic, using traditional and electronic media, and hence assess the viability and necessary resources for a project.
  2. Produce a research plan, including milestones and timing, and implement this plan over the course of a project
  3. Write a detailed report on a piece of research, in the form of, and of a standard suitable for publication in a peer-reviewed journal
  4. Present the major findings of their research to an audience of peers and interested non-specialists
  5. Indicate briefly how their research might be followed up, and produce an outline research proposal for a subsequent project

How the module will be delivered

Students will undertake a research project in an area of current interest under the supervision of a member of academic staff, and present their findings orally and in writing.

Skills that will be practised and developed

Skills in experimental work, project planning, literature searching, scientific writing, and presentation.

How the module will be assessed

The module will be assessed by a combination of an oral examination (20%), a dissertation (50%), an oral presentation (20%), and the supervisor's report (10%).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Presentation 20
oral presentation
N/A 1 N/A
Oral/Aural Assessment 20
oral examination
N/A 1 N/A
Practical-Based Assessment 20
supervisor's report
N/A 1 N/A
Dissertation 40
written report
N/A 1 N/A

Syllabus content

Literature review on background and related current work; Project planning, including overall goals and individual milestones and timings.

Familiarisation with specific laboratory and/or computational techniques required for project; Application to preliminary problems, and assessment of viability of project goals and timing.

Application to full scale research problems; Recording, analysis, and interpretation of results.

Review of project goals and milestones in the light of initial results; Re-draft of project plan

Drafting, revision, and final presentation of dissertation; Oral presentation of results, with question & answer session; Outline of proposal for subsequent research.

Essential Reading and Resource List

There is no specific reading list associated with this module.

Background Reading and Resource List

There is no specific reading list associated with this module.

CHT008 - Research Project

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT008
External Subject CodeF100
Number of Credits60
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterDissertation Semester
Academic Year2016/7

Outline Description of Module

This module aims to introduce students to working in an active research environment, allowing them to apply the knowledge gained in the taught portion of the programme to a problem of current interest. Practical skills such as project planning, literature searching, scientific writing, and presentation will form a large part of the module, along with a deeper understanding of the particular subject matter involved.

On completion of the module a student should be able to

  1. Review current literature on a specified topic, using traditional and electronic media, and hence assess the viability and necessary resources for a project.
  2. Produce a research plan, including milestones and timing, and implement this plan over the course of a project
  3. Write a detailed report on a piece of research, in the form of, and of a standard suitable for publication in a peer-reviewed journal
  4. Present the major findings of their research to an audience of peers and interested non-specialists
  5. Indicate briefly how their research might be followed up, and produce an outline research proposal for a subsequent project

How the module will be delivered

Students will undertake a research project in an area of current interest under the supervision of a member of academic staff, and present their findings orally and in writing.

Skills that will be practised and developed

Skills in experimental work, project planning, literature searching, scientific writing, and presentation.

How the module will be assessed

The module will be assessed by a combination of an oral examination (20%), a dissertation (50%), an oral presentation (20%), and the supervisor's report (10%).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 40
written report
N/A 1 N/A
Practical-Based Assessment 20
supervisor's report
N/A 1 N/A
Presentation 20
oral presentation
N/A 1 N/A
Oral/Aural Assessment 20
oral examination
N/A 1 N/A

Syllabus content

Literature review on background and related current work; Project planning, including overall goals and individual milestones and timings.

Familiarisation with specific laboratory and/or computational techniques required for project; Application to preliminary problems, and assessment of viability of project goals and timing.

Application to full scale research problems; Recording, analysis, and interpretation of results.

Review of project goals and milestones in the light of initial results; Re-draft of project plan

Drafting, revision, and final presentation of dissertation; Oral presentation of results, with question & answer session; Outline of proposal for subsequent research.

Essential Reading and Resource List

There is no specific reading list associated with this module.

Background Reading and Resource List

There is no specific reading list associated with this module.

CHT108 - Modelling of Biological Macromolecules

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT108
External Subject CodeF170
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr James Platts
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module will set out methods for modelling the structure and function of biological macromolecules, especially proteins and enzymes. Recent advances in the field of bio-informatics will give context. Prediction of structure from first principles, or from structural homologues, will be set out, and the variety of biologically-oriented molecular mechanics forcefields introduced. These will then be expanded upon with hybrid QM/MM methods for protein function, especially enzymatic reactions, where specific problems associated with proteins will be discussed.  Some of the problems and challenges associated with modelling of nucleic acids, especially DNA and RNA, using both classical and quantum mechanics will be discussed, as will modelling of carbohydrates.

On completion of the module a student should be able to

Knowledge

  1. Be aware of recent advances in the field of bio-informatics.
  2. Know the basis of homology modelling, and any necessary or useful experimental data for this process.
  3. Know of techniques for validating and improving upon basic homology models, e.g. treatment of loops, threading.
  4. Describe methods for ab initio prediction of protein folding.
  5. Be aware of the various all-atom and united-atom forcefields designed specifically for biological systems.
  6. Know how QM/MM methods can be used to model protein function.
  7. Be aware of modern methods for simulation of the structure and function of DNA, RNA and sugars.

Understanding

  1. Understand the strengths and limitations of methods of protein structure prediction, and suggest an appropriate choice of method in a given instance.
  2. Appreciate the simplifications required in modelling macromolecules, and the likely effect of such simplifications on the reliability of results.
  3. Understand the need for QM/MM methods in modelling protein function, and how choices of method, boundary condition etc. affect results.
  4. Appreciate the similarities and differences in treating protein and nucleic acid structure and function.

Skills

  1. Carry out sequence alignment of proteins, build model structures based on such alignments, and assess the quality of the resulting structures.
  2. Choose appropriate forcefields, and carry out conformational/folding analysis for a given protein/peptide.
  3. Partition a protein structure into regions for QM and MM treatment, then set up and perform appropriate QM/MM calculations on these regions.
  4. Apply classical and quantum mechanical methods to describe important aspects of nucleic acids.

How the module will be delivered

Eleven 1-hour lectures with many concepts illustrated by on-line software demonstrations.

Supervised workshops in which students will work through marked problems, using a variety of software packages. Students would not be expected to solve all the problems provided within the contact time, so it will be necessary for them to continue working on them privately (or in groups) throughout the week.

Students will be provided with a reading list at the outset of the module.

Three 1-hour tutorials led by the main lecturer on the course. In these tutorials, the students will be asked to raise specific issues or topics arising from the lectures, workshop problems or reading, where they feel the need for more clarification.

One 2000 word essay on a topic chosen from a list provided by the main lecturers, to be completed within one month. Students will be required to review, for example, an application of computing skills in drug design or the modelling and analysis of a pharmaceutically important protein or nucleic acid.

Skills that will be practised and developed

Please see Learning Outcomes.

How the module will be assessed

The module will be assessed by a combination of coursework (50%), a class test (40%) and an oral examination (10%).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Class Test 40
class test
2 hrs 1 N/A
Written Assessment 50
coursework
N/A 1 N/A
Oral/Aural Assessment 10
oral examination
N/A 1 N/A

Syllabus content

Introduction to protein structure and function; relevance of bio-informatics.

Methods for prediction of protein structure: homology or comparative modelling; treatment of loops, threading, Ramachandran maps; ab initio protein folding, advantages and limitations.

Forcefields for bio-molecules: set-up and parameterisation, validation; all-atom vs.united-atom methods; highly simplified parameters.

Modelling protein function: need for QM/MM methods, strengths and weaknesses for proteins; sampling techniques.

Essential Reading and Resource List

Please see Background Reading List for an indicative list.

Background Reading and Resource List

An Introduction to Bioinformatics, A. M. Lesk Oxford University Press

Structure and Mechanism in Protein Science: Guide to Enzyme Catalysis and Protein Folding, A. Fersht, Freeman

Molecular Modelling, H.D. Holtje, G. Folkers, Wiley

Molecular Modelling - Principles and Applications, A. Leach (Longman) chapters 9, 10, 12

CHT109 - Applications To Materials Science

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT109
External Subject CodeF170
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Willock
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

The Applications of Computational Chemistry to Materials Science module introduces the use of simulation for periodic systems. The background ideas of solid state chemistry, such as the band structure for electronic states, are introduced using tight binding theory. This is then extended to a discussion of modern techniques to treat the electronic structure of solids with examples including periodic density functional theory. Atomistic potentials for calculations on solid state structures are also discussed with examples drawn from ionic and semi-ionic materials.

On completion of the module a student should be able to

Knowledge

  1. Have a knowledge of common solid state crystalline structures and the description of their surfaces.
  2. Give an account of periodic electronic structure and its calculation using computational methods.
  3. Describe the main methods used for simulating heterogeneously catalysed reactions.
  4. Describe the models and parameters for treating insulating and metallic materials.
  5. Give explanations of common forcefield methods including polarisable potential models.
  6. Discuss the treatment of defects in solids using computer modelling.

Understanding

  1. Explain how the surface states on metals differ from the bulk states, using such concepts as density-of-states and the Fermi level.
  2. Understand the advantages and limitations of periodic vs cluster type models of solids.
  3. Understand the role of QM/MM modeling in solid state problems.
  4. Understand and interpret band structure representations of the electronic structure of solids.

How the module will be delivered

Concepts taught via eleven 1-hour lectures with many concepts illustrated by on-line software demonstrations using ab initio/DFT software and a computational algebra package. Students will be encouraged to ask questions throughout.

Ideas reinforced by two 3-hour supervised workshops in which the students will work through graded problems, some on paper, and the rest employing software packages. A typical student would not be expected to solve all the problems provided within the 3 hours of contact time so it will be necessary for them to continue working on them privately (or in groups) throughout the week.

Students will be provided with a reading list and access to many of the texts in a dedicated library situated in the MSc teaching room (2.65B).

Three 1-hour tutorials led by one of the main lecturers on the course, or (exceptionally, when available) one of the external guest lecturers. In these tutorials, the students will be asked to raise specific issues or topics arising from the lectures, workshop problems or reading, where they feel clarification is necessary.

Skills that will be practised and developed

Many transferable skills will be acquired during this module, including the ability:

How the module will be assessed

The module will be assessed by a combination of coursework (50%), a class test (40%) and an oral examination (10%).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 50
coursework
N/A 1 N/A
Class Test 40
class test
2 hrs 1 N/A
Oral/Aural Assessment 10
oral examination
N/A 1 N/A

Syllabus content

Atomistic simulation methods in solid state problems: the shell model and applications to metal oxides, halides and ion-molecule systems.

Periodic quantum chemistry introduced using concepts from tight binding theory.  Use of plane wave basis sets and pseudopotentials in periodic systems.  

The structure of metal surfaces: the nature of surface states and their effect on the density-of-states and Fermi level; interaction/activation of adsorbate molecules at surfaces; quantum-mechanical simulation of surface-catalysed reactions.

Applications of molecular dynamical simulations to polymers, liquid crystals, colloids and thin films, using both molecular approaches.

Zeolites and related host-guest systems: static models and parameters for bulk modelling of aluminosilicates; diffusion of adsorbates by dynamical simulation techniques.

Quantum chemical treatment of defects in solids: choice of ‘perturbed cluster’ or periodic approaches.

Essential Reading and Resource List

Please see Background Reading List for an indicative list.

Background Reading and Resource List

Electronic Structure and The Properties Of Solids, by W. A. Harrison, Freeman Publishers, Chapters 2, 3, 7, 8, 9 and 14.

The Electronic Structure and Chemistry of Solids, by P. A. Cox, Oxford Science Publications, Chapters 1,3 and 7.

Solid State Chemistry: New Opportunities From Computer Simulations, Faraday Discussions 106, 1997, Pages 1-40.

Structure and Bonding In Solid State Chemistry, by M. F. C. Ladd, Wiley and Sons, Chapters 1-4.

Valence Theory, by J. Murrell, S. F. A. Kettle, and J. M. Tedder (Second Edition), Chapter 13.

Molecular Modelling Principles and Applications, by Andrew R. Leach,  Chapters 5-8.

CHT204 - Catalysis and Electrocatalysis

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT204
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Stuart Taylor
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module illustrates the wide range of catalysis and its relevance to industry and environmental matters, describes the mechanisms involved in catalysis at the molecular level, and illustrates the techniques available for the study of these processes.

On completion of the module a student should be able to

  1. describe the role of catalysts and discuss their uses in environmental and chemical manufacturing applications;
  2. compare and contrast heterogeneous catalysis and electrocatalysis;
  3. discuss the typical properties and preparation of a heterogeneous catalyst;
  4. calculate metal particle size for  chemisorption data;
  5. explain the importance of catalytic reactors for generating and converting syngas;
  6. discuss the different models advanced to account for heterogeneously catalysed reactions;
  7. understand the design of a polymer electrolyte membrane for a fuel cell;
  8. assess the catalytic methods used for generating and storing hydrogen for fuel cell systems;
  9. to appreciate how synchrotron radiation can be used to study heterogeneous catalysts;
  10. discuss catalysis using gold for CO oxidation, VCM synthesis and selective oxidation.

How the module will be delivered

The module will be delivered in twenty-two 1-hour lectures, and three 1-hour workshops.

Skills that will be practised and developed

Application of detailed fundamental knowledge to real problems.

Identification of modern catalytic and dynamic situations and application of knowledge derived from the course to solve any problems that could potentially arise with the system.

Master’s level experience in problem-solving, individually and as part of a group, in the area of catalysis and electrocatalysis.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 30
workshops
N/A 1 N/A
Examination - Autumn Semester 70
catalysis and electrocatalysis
2 hrs 1 N/A

Syllabus content

The course will begin by covering the basics and applications of catalysis, effects of catalysts on reaction rates and product distribution, requirements for practical catalysts, and the design of catalysts with attention to active phases, supports and promoters.

Examples include catalysts for (i) oxidation, including catalytic combustion; (ii) water gas shift; (iii) refining processes; (iv) removal of sulfur from fuels; (v) production and use of syngas, and catalytic routes to ammonia and methanol; (vi) pollution control with particular reference to car exhaust catalysts.

Fuel cells will also be covered. These devices offer energy efficient methods of power utilisation based on hydrogen and biofuels such as ethanol. The important electrocatalytic principles governing their mode of operation will be described, together with the associated catalytic technologies that can be used to produce and purify a hydrogen-rich feed stream.

The types of reactors used to apply heterogeneous catalysts will be introduced and the important features will be discussed.

A number of examples of different catalysts will be covered in case studies for a wide range of applications. An example will be the three-way catalytic converter for control of vehicle emissions, and another will cover the use of gold catalysts in different applications. Different types of heterogeneous catalysts, like zeolites, supported metals and metal oxides will be covered.

A number of techniques used to characterise heterogeneous catalysts will be introduced, with a particular focus on the use of synchrotron radiation.

Essential Reading and Resource List

G C Bond, C Louis, D T Thompson, Catalysis by Gold, Catalytic Science

J M Thomas and W J Thomas, Principles and Practice of Heterogeneous Catalysis, ISBN: 978-3-527-29239-4

G Attard and C Barnes, Surfaces, Oxford Chemistry Primers, 1998, ISBN 0198556861

M Bowker, The Basis and Applications of Heterogeneous Catalysis, Oxford Chemistry Primers, 1998, ISBN 0198559585

Background Reading and Resource List

See Essential Reading and Resource List.

CHT206 - Structure and Mechanism in Organic Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT206
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Niklaas Buurma
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module shows how the concerted application of a collection of conceptual models and elementary reaction steps to problems in organic chemistry can provide a framework for understanding the bonding and reactivity of organic molecules.

On completion of the module a student should be able to

Knowledge and Understanding

  1. discuss the forces that control structure and reactivity of organic molecules;
  2. analyse problems in organic chemistry employing the experimental techniques and theoretical models that have led to our current understanding of structure and reactivity in organic chemistry;
  3. discuss the origins and consequences of the special reactivities of transient intermediates and propose how such transient intermediates might feature in organic reaction mechanisms;
  4. apply the knowledge acquired in the field to problems in neighbouring disciplines, such as chemical synthesis, chemical biology, and materials chemistry;
  5. judge the merit of proposed reaction mechanisms;

Intellectual Skills

  1. analyse the merit of proposed (reaction) mechanisms through the evaluation of the energetic viability of intermediates and activated complexes;

Discipline Specific (including practical) Skills

  1. decide which theoretical model is most appropriate for analysing a problem in organic structure or reactivity, and then apply that model to solve the problem;
  2. hypothesize whether a particular organic reaction is likely to involve a reactive intermediate, and if so, which type;
  3. predict the probable outcomes for a wide variety of chemical transformations of organic molecules;
  4. critically review existing literature in mechanistic organic chemistry.

How the module will be delivered

Concepts are taught during 22 1-hour lectures. Application of these concepts is practised during 3 assignments.

Skills that will be practised and developed

  1. appreciation of how the development of models in science aids in understanding;
  2. appreciation of the integrated nature of scientific enquiry;
  3. ability to select from a large store of factual and conceptual information the components required to solve a problem.

How the module will be assessed

The written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 30
assignments
N/A 1 N/A
Examination - Autumn Semester 70
structure and mechanism in organic chemistry
2 hrs 1 N/A

Syllabus content

Revision and conceptual models for bonding and mechanism

The Lewis electron-pair bond and curved arrows

Valence-bond vs. molecular-orbital bonding descriptions

Curly arrows, valence bonds and molecular orbitals

Frontier-orbital theory and perturbation-theory interaction diagrams

Review of substitution (SN1 or SN2) and elimination (E1 or E2) reactions, additions to carbonyls, and electrophilic addition and substitution reactions

Thermodynamic and kinetic constraints on mechanisms

Kinetic vs thermodynamic control

More-O’Ferrall-Jencks diagrams

Solvent effects and non-covalent interactions

The Hammond postulate

Hunter’s hydrogen bonding interactions

Hydrophobic interactions

Aldol reactions

Burgi-Dunitz trajectories

Conformational analysis and stereochemical representations

Zimmerman-Traxler model

Cyclisation reactions

Burgi-Dunitz trajectories and Baldwin’s rules

Ring strain

Stereoelectronic effects

FMO theory

Introduction to MO theory

Diels-Alder reaction; symmetry-allowed and symmetry-forbidden reactions, regioselectivity

Sigmatropic rearrangements; 1,n hydride shifts, Cope and Claisen rearrangements

Electrocyclic reactions

Photochemical processes; alkene dimerisation

Reactive intermediates

Carbocations: solvolysis reactions, ion pairs, classical and non-classical carbocations

Carbanions: kinetic vs thermodynamic acidity, ion pairing, elimination reactions

Essential Reading and Resource List

“Advanced Organic Chemistry – Reaction Mechanisms and Structure” by Smith and March

“Advanced Organic Chemistry – Part A: Structure and Mechanisms” by Carey and Sundberg

Background Reading and Resource List

CHT207 - Biosynthetic Approach to Natural Products

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT207
External Subject CodeF165
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr James Redman
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module discusses the activity of enzymes: the chemistry involved with cofactors, the chemical consequences of interactions of multiple enzymes in biochemical pathways, primary metabolism, the biosynthesis of secondary metabolites and applications in medicinal chemistry.

The module illustrates how fundamentals of chemical structure and reaction mechanisms can be applied to the detailed understanding of biosynthesis. Principles of enzyme catalysis and cofactor chemistry will be discussed. This will lead to the connection of multiple enzymatic reactions in metabolic pathways. Examples of biosynthesis of natural products from primary and secondary metabolism will be introduced. Concepts for interference with biochemical pathways in medicinal chemistry will be described.

On completion of the module a student should be able to

  1. discuss the differences between primary and secondary metabolism;
  2. explain the physicochemical principles of enzyme catalysis;
  3. illustrate the types of enzymatic transformation involved in primary and secondary metabolism;
  4. discuss the chemistry of the cofactors TPP, NADH, FAD, PLP, SAM, ATP, biotin and CoA;
  5. outline the general biosynthetic pathways producing polyketide, terpenoid and alkaloid secondary metabolites;
  6. explain why organisms produce secondary metabolites and display an appreciation of why some of these are of interest from a medicinal and economic perspective.

How the module will be delivered

The module will be delivered in twenty-two 1-hour lectures, three 1-hour workshops and one 1-hour revision session.

Skills that will be practised and developed

On completion of the module a student should be able to:

Chemistry-specific skills

  1. draw mechanisms for biochemical transformations using curly arrow notation;
  2. propose biosynthetic pathways for previously unseen natural products;
  3. design and interpret experiments for testing hypotheses regarding the biosynthetic origins of metabolites;
  4. predict products and/or cofactor(s) of metabolic reactions given the structures of starting materials;
  5. critically evaluate biosynthetic hypotheses based on evidence drawn from multiple sources.

Transferable Skills

  1. use electronic and printed resources to extract relevant information;
  2. report in writing on a topic studied;
  3. solve problems, individually and as part of a group.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 70
biosynthetic approach to natural products
2 hrs 1 N/A
Written Assessment 30
workshops
N/A 1 N/A

Syllabus content

Introduction to cofactors/coenzymes/prosthetic groups - metal ions, NADH, ATP, haem, flavins, PLP, thiamine, biotin, SAM.

Cofactors – mechanisms:

Flavins - dehydrogenases and oxidases (monoamine oxidase, acetylcoenzyme A dehydrogenase)

Pyridoxal phosphate - transaminases, decarboxylation of amino acids

Thiamine pyrophosphate - decarboxylation of alpha-keto acids.

Introduction to types of reactions in which these cofactors are involved - in terms of organic chemistry e.g. NADH = NaBH4

Fatty acid biosynthesis.

Secondary metabolites - biosynthesis of terpenes, alkaloids and polyketides.

Biosynthesis of aromatic amino acids.

Applications of secondary metabolites in medicine, agriculture and consumer products.

 

Essential Reading and Resource List

Chemical Aspects of Biosynthesis, Mann, OUP Primer, ISBN 0-19-855676-4

Background Reading and Resource List

The Organic Chemistry of Biological Pathways, McMurry and Begley, Roberts & Co. ISBN 0-9747077-1-6

An Introduction to Enzyme and Coenzyme Chemistry, Bugg, Blackwell Science, ISBN 1405114525

Principles of Biochemistry, 5th Ed., Nelson and Cox, Freeman, ISBN 0-7167-7108-X

CHT214 - Biocatalysis I - Modern Approaches to Biocatalysts

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT214
External Subject CodeF165
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

Modern chemical biology is an interdisciplinary subject that sits at the cutting edges of chemistry, biology and medicine.  Biocatalysts are central to this topic as they perform the chemistry of life.

This module will first remind students of the fundamental building blocks of life, enzymes and nucleic acids which are both necessary for production and application of biocatalysis. Structure, mechanism, kinetics and thermodynamics of enzyme action and nucleic acids will be revised.  We will then bring the students up to speed on the state-of-the-art in modern enzyme and nucleic acid chemistry.

Students will be shown the current methods of biotechnology – namely methods for the production and manipulation of proteins and DNA in different systems for applications spanning research, green manufacturing and biopharmaceuticals. Problems with these techniques will be discussed and strategies for their solution will be developed.

This module will arm the student well for a future career in academia or industry in an exciting subject that is right at the frontiers of modern research science.

On completion of the module a student should be able to

  1. Describe what biocatalysis is and compare and contrast the disadvantages relative to conventional catalysis.
  2. Describe how the 3D structures of proteins and nucleic acid arise from their primary structure.
  3. Describe the basic principles of gene expression in both prokaryotes and eukaryotes and some of the principle methods used for regulation of this process.
  4. Describe how translation of DNA to protein occurs.
  5. Explain the molecular basis for catalysis by proteins and nucleic acids.
  6. Derive steady state rate equations from a model of the microscopic steps of an enzyme reaction.
  7. Quantitatively model experimental kinetic data to test mechanistic hypotheses and extract parameters describing enzyme kinetics.
  8. Be able to make predictions of rates from quantitative parameters describing enzyme activity and reaction conditions.
  9. Explain methods for production, purification and quantitation of DNA, RNA and proteins.
  10. Propose an appropriate strategy for production of a given biomacromolecule.
  11. Compose hypotheses and use arrow pushing to rationalise detailed reaction mechanisms in biocatalysis.
  12. Formulate strategies for the preparation of biocatalysts in the laboratory.
  13. Apply their knowledge of bio-macromolecule structure to their physical and chemical properties and hence suggest and evaluate strategies for their purification and preparation.
  14. Demonstrate how to manipulate DNA to advantage in the production of modified biocatalysts.
  15. Explain how to transform and cultivate cell cultures for the production of biocatalysts.

How the module will be delivered

The module will be delivered in 6 × 2-hour lectures and 2 × 2 hour workshops.

Skills that will be practised and developed

Further experience in project planning and problem-solving, individually and as part of a group, in the area of biological chemistry.

Communication of concepts, original proposals and conclusions to specialist and non-specialist audiences.

Independently undertaking further learning and professional development to stay abreast of advances in the field.

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 30
coursework
N/A 1 N/A
Examination - Autumn Semester 70
biocatalysis i - modern approaches to biocatalysts
2 hrs 1 N/A

Syllabus content

Protein and RNA chemistry

Protein and nucleic acid structure and function.

Catalytic activity of biomolecules – enzymes.

Enzyme thermodynamics and kinetics

Energetically unfavourable reactions at low temperatures and in unfavourable solvents.

Thermodynamics of peptide folding and substrate binding.

The Michaelis-Menten model.

Recombinant DNA technology

Tools for the manipulation of DNA (endonucleases, ligases, DNA polymerases).

Modification of proteins by site-directed mutagenesis.

Protein expression in bacteria, yeast, insect and mammalian cells.

Isolation and purification of recombinant proteins.

Modification of proteins

Expression and purification of fusion proteins.

Extremozymes – protein catalysts for reactions at extremes of temperature, pressure and pH.

Essential Reading and Resource List

Principles of Biochemistry, 5th Ed., Albert R. Lehninger, David L. Nelson and Michael M. Cox, W. H. Freeman, New York, 2008

Molecular Biotechnology : principles and applications of recombinant DNA, 3rd Ed., Bernard R. Glick, and Jack J. Pasternak, ASM Press, Washington D.C., 2003

BIOCATALYSIS, Biochemical Fundamentals and Applications, Peter Grunwald, WORLD SCIENTIFIC, 2009

Background Reading and Resource List

Please see Essential Reading List.

CHT216 - Colloquium

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT216
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Niklaas Buurma
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module trains students in searching, retrieving, managing and subsequent analysis and discussion of current scientific literature in a specialised area of research. The module will develop written communication skills through the preparation of a written report in one of the standard formats (e.g. RSC and ACS). The module will also develop oral communication skills. Specialised chemical topics provide the main themes. 

On completion of the module a student should be able to

Knowledge and Understanding

  1. Critically review a combined body of scientific literature in a specialised area of knowledge.
  2. Support his/her professional opinion in a specialised area of knowledge using scientific literature.

Intellectual Skills:

  1. Separate the objective facts in a report from the interpretation of those facts.
  2. Critically evaluate the published interpretations of data and generate alternative interpretations where appropriate.

Discipline Specific Skills:

  1. Collect, manage and review a body of scientific literature
  2. Evaluate whether advanced and specialised techniques in the chosen area of research have been applied appropriately in solving complex chemical problems.
  3. Report (in writing and orally) chemical information at a professional standard.

How the module will be delivered

An introductory 2-hour workshop on handling scientific literature, including the use of Voyager, Endnote (web), Scopus, Web of Knowledge, Scifinder. Supervision during the preparation of a written report and a presentation on walk-in basis will be provided by the member of staff proposing the topic of the literature study. Whereas the supervision on walk-in basis will enable and support student learning of complex and specialised knowledge and skills, the student is expected to develop the autonomous learning processes associated with the preparation of critical literature reviews.

Skills that will be practised and developed

  1. Writing review reports on a body of scientific literature
  2. Presenting findings in public and engaging in public discussion

How the module will be assessed

The presentation and the report will allow the student to: (1) demonstrate his/her ability to judge and critically review a significant body of existing literature in a specialised area of research; (2) present results from a study of the scientific literature in both written and oral form.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Dissertation 50
written report
N/A 1 N/A
Presentation 50
oral presentation
N/A 1 N/A

Syllabus content

Application of information technology in chemistry

Writing of reports in one of the standard formats

Plagiarism and its potential consequences

Oral presentation and scientific discussion

The module consists of a literature review of a specialised area of knowledge, resulting in a written report and an oral presentation. The topics are allocated from a list to which staff contribute and can be in any area of the student’s MSc programme.

Essential Reading and Resource List

The module will predominantly use recent scientific literature focussing on a specialised area of knowledge of the student’s choice.  Support is provided through resources on Learning Central.

Background Reading and Resource List

The module will predominantly use recent scientific literature focussing on a specialised area of knowledge of the student’s choice.  Support is provided through resources on Learning Central.

CHT217 - Catalyst Design Study

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT217
External Subject CodeF100
Number of Credits20
LevelL7
Language of DeliveryEnglish
Module LeaderDr Jonathan Bartley
SemesterDissertation Semester
Academic Year2016/7

Outline Description of Module

This module provides students with the opportunity to work in small teams. They will be given a reaction and must use their knowledge and the literature to design the best catalyst they can come up with for this reaction that will work within certain design constraints. The study will be assessed by the production of a detailed report and by an oral presentation given by the team.

On completion of the module a student should be able to

Knowledge and Understanding

Identify the key issues in the design of a catalyst for a particular reaction and to use chemical knowledge and the literature to overcome these issues.

Specific issues include: reaction mechanism, reaction conditions, catalyst stability and possible creation of isomeric mixtures (regio and/or stereo).

Intellectual Skills

  1. Understand how compound structure both in substrate and catalyst relates to chemical reactivity and physical stability.
  2. Understand how the mechanism of a reaction and/or side will lead to desired and undesired products.
  3. Logically apply both (1) and (2) in the design of a compound that will maximise the yield of desired products from a reaction mixture.

Discipline Specific Skills

  1. Understand how a catalyst works both physically and chemically.
  2. Use that knowledge to design a new catalyst that will achieve the desired results laid out at the beginning of the project.

How the module will be delivered

The students will be given a reaction requiring catalysis with some design constraints and will be expected to design a catalytic system that will achieve the goals laid out in the initial criteria.  They will be expected to work in teams and this will be primarily a literature based project where they are expected to use the library and online databases to research their final design.  Teaching will be mostly of the supportive type; students will be expected to do this work themselves but the course tutors will be there to provide guidance as and when requested by the students.

Each student in the team will write a detailed report of their study which should cement in their mind what they have done and the oral presentation will reaffirm this.

The module CHT216 (Colloquium) will provide essential background work on how to use the literature for the purposes of this study and so is an essential co-requisite module.

Skills that will be practised and developed

  1. Working as part of a team to achieve a clear goal with a definite deadline
  2. Writing a clear, concise report on a project and presenting the work to a group of peers in oral format.
  3. Making use of the scientific literature in researching a specific project aim.

How the module will be assessed

The module will be assessed on the basis of a written report and an oral team presentation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Presentation 40
oral presentation
N/A 1 N/A
Dissertation 60
written report
N/A 1 N/A

Syllabus content

Application of information technology in chemistry towards a specific goal (design of a catalyst)

Writing of reports in one of the standard formats.

Oral presentation and scientific discussion.

Working as a team to achieve the desired goal.

Suitable reactions for the study will be chosen from the three areas of catalysis (homogeneous, heterogeneous and biological) and allocated by the staff – teams will be allowed to choose their own reaction of study.

Essential Reading and Resource List

There is no specific reading list for this module.

Background Reading and Resource List

There is no specific reading list for this module.

CHT217 - Catalyst Design Study

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT217
External Subject CodeF100
Number of Credits20
LevelL7
Language of DeliveryEnglish
Module LeaderDr Jonathan Bartley
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module provides students with the opportunity to work in small teams. They will be given a reaction and must use their knowledge and the literature to design the best catalyst they can come up with for this reaction that will work within certain design constraints. The study will be assessed by the production of a detailed report and by an oral presentation given by the team.

On completion of the module a student should be able to

Knowledge and Understanding

Identify the key issues in the design of a catalyst for a particular reaction and to use chemical knowledge and the literature to overcome these issues.

Specific issues include: reaction mechanism, reaction conditions, catalyst stability and possible creation of isomeric mixtures (regio and/or stereo).

Intellectual Skills

  1. Understand how compound structure both in substrate and catalyst relates to chemical reactivity and physical stability.
  2. Understand how the mechanism of a reaction and/or side will lead to desired and undesired products.
  3. Logically apply both (1) and (2) in the design of a compound that will maximise the yield of desired products from a reaction mixture.

Discipline Specific Skills

  1. Understand how a catalyst works both physically and chemically.
  2. Use that knowledge to design a new catalyst that will achieve the desired results laid out at the beginning of the project.

How the module will be delivered

The students will be given a reaction requiring catalysis with some design constraints and will be expected to design a catalytic system that will achieve the goals laid out in the initial criteria.  They will be expected to work in teams and this will be primarily a literature based project where they are expected to use the library and online databases to research their final design.  Teaching will be mostly of the supportive type; students will be expected to do this work themselves but the course tutors will be there to provide guidance as and when requested by the students.

Each student in the team will write a detailed report of their study which should cement in their mind what they have done and the oral presentation will reaffirm this.

The module CHT216 (Colloquium) will provide essential background work on how to use the literature for the purposes of this study and so is an essential co-requisite module.

Skills that will be practised and developed

  1. Working as part of a team to achieve a clear goal with a definite deadline
  2. Writing a clear, concise report on a project and presenting the work to a group of peers in oral format.
  3. Making use of the scientific literature in researching a specific project aim.

How the module will be assessed

The module will be assessed on the basis of a written report and an oral team presentation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Presentation 40
oral presentation
N/A 1 N/A
Dissertation 60
written report
N/A 1 N/A

Syllabus content

Application of information technology in chemistry towards a specific goal (design of a catalyst)

Writing of reports in one of the standard formats.

Oral presentation and scientific discussion.

Working as a team to achieve the desired goal.

Suitable reactions for the study will be chosen from the three areas of catalysis (homogeneous, heterogeneous and biological) and allocated by the staff – teams will be allowed to choose their own reaction of study.

Essential Reading and Resource List

There is no specific reading list for this module.

Background Reading and Resource List

There is no specific reading list for this module.

CHT217 - Catalyst Design Study

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT217
External Subject CodeF100
Number of Credits20
LevelL7
Language of DeliveryEnglish
Module LeaderDr Jonathan Bartley
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module provides students with the opportunity to work in small teams. They will be given a reaction and must use their knowledge and the literature to design the best catalyst they can come up with for this reaction that will work within certain design constraints. The study will be assessed by the production of a detailed report and by an oral presentation given by the team.

On completion of the module a student should be able to

Knowledge and Understanding

Identify the key issues in the design of a catalyst for a particular reaction and to use chemical knowledge and the literature to overcome these issues.

Specific issues include: reaction mechanism, reaction conditions, catalyst stability and possible creation of isomeric mixtures (regio and/or stereo).

Intellectual Skills

  1. Understand how compound structure both in substrate and catalyst relates to chemical reactivity and physical stability.
  2. Understand how the mechanism of a reaction and/or side will lead to desired and undesired products.
  3. Logically apply both (1) and (2) in the design of a compound that will maximise the yield of desired products from a reaction mixture.

Discipline Specific Skills

  1. Understand how a catalyst works both physically and chemically.
  2. Use that knowledge to design a new catalyst that will achieve the desired results laid out at the beginning of the project.

How the module will be delivered

The students will be given a reaction requiring catalysis with some design constraints and will be expected to design a catalytic system that will achieve the goals laid out in the initial criteria.  They will be expected to work in teams and this will be primarily a literature based project where they are expected to use the library and online databases to research their final design.  Teaching will be mostly of the supportive type; students will be expected to do this work themselves but the course tutors will be there to provide guidance as and when requested by the students.

Each student in the team will write a detailed report of their study which should cement in their mind what they have done and the oral presentation will reaffirm this.

The module CHT216 (Colloquium) will provide essential background work on how to use the literature for the purposes of this study and so is an essential co-requisite module.

Skills that will be practised and developed

  1. Working as part of a team to achieve a clear goal with a definite deadline
  2. Writing a clear, concise report on a project and presenting the work to a group of peers in oral format.
  3. Making use of the scientific literature in researching a specific project aim.

How the module will be assessed

The module will be assessed on the basis of a written report and an oral team presentation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Presentation 40
oral presentation
N/A 1 N/A
Dissertation 60
written report
N/A 1 N/A

Syllabus content

Application of information technology in chemistry towards a specific goal (design of a catalyst)

Writing of reports in one of the standard formats.

Oral presentation and scientific discussion.

Working as a team to achieve the desired goal.

Suitable reactions for the study will be chosen from the three areas of catalysis (homogeneous, heterogeneous and biological) and allocated by the staff – teams will be allowed to choose their own reaction of study.

Essential Reading and Resource List

There is no specific reading list for this module.

Background Reading and Resource List

There is no specific reading list for this module.

CHT219 - Preparation and Evaluation of Heterogeneous Catalysts

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT219
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Jonathan Bartley
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module describes the preparation, characterisation and testing of heterogeneous catalysts. The course will cover different methods of catalyst preparation, different characterisation techniques and catalyst testing procedures.

The techniques to be studied will include X-ray diffraction, Raman spectroscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, atomic force microscopy, scanning tunnelling microscopy, EPR/ENDOR spectroscopy, surface area measurement, scanning electron microscopy, temperature programmed reduction/oxidation/desorption, and the module will aim to explain the fundamentals of the techniques and incorporate a considerable amount of problem solving in determining how the information obtained can be used to understand how a heterogeneous catalyst works.

On completion of the module a student should be able to

Knowledge and Understanding:

  1. Describe different methods for preparing heterogeneous catalysts and identify which methods are appropriate for preparing different materials;
  2. Describe the experimental and theoretical basis of the following characterisation techniques: X-ray diffraction, Raman spectroscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, atomic force microscopy, scanning tunnelling microscopy, EPR/ENDOR spectroscopy, surface area measurement, scanning electron microscopy, temperature programmed reduction/oxidation/desorption;
  3. Understand the benefits and limitations of the different techniques;
  4. Describe the different types of reactor used for testing catalysts and the basic components of them.

Intellectual Skills

  1. Apply the use of the techniques listed above to the characterisation of heterogeneous catalysts;
  2. Obtain data from the different techniques and use it to evaluate different aspects of the catalyst's structure;
  3. Determine the activity and selectivity of catalysts from reactor data;
  4. Use characterisation and testing data to develop activity-structure relationships for different materials;
  5. Understand how the different information obtained from different techniques can be complementary in determining the structure and properties of materials.

Discipline Specific Skills:

  1. Understand and interpret spectra obtained from different experimental techniques;
  2. Understand how different characterisation data can be used to identify materials and their structure.

How the module will be delivered

Concepts are taught in a series of eleven 2-hour lectures on the different topics to introduce the basic concepts and theoretical background.

Workshops will run alongside the lectures to introduce the type of data that can be obtained from the different techniques and to give experience in analysing and interpreting raw data and applying that to materials characterisation.

Skills that will be practised and developed

Further experience in problem-solving, individually and as part of a group, in the area of heterogeneous catalysis

How the module will be assessed

Assessment will be in the form of a short question examination to determine that the student understands the fundamentals of the techniques and methods.

There will also be in-course assessments to determine the student’s ability to interpret and apply the data obtained to solve problems and gain information about materials.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 50
preparation and evaluation of heterogeneous catalysts
2 hrs 1 N/A
Written Assessment 50
coursework
N/A 1 N/A

Syllabus content

The connecting theme running through this module is the preparation, characterisation and testing of heterogeneous catalysts.

Different methods of catalyst preparation will be introduced and their influence on the resultant material's properties explained.

A number of characterisation techniques/research methods will be described with a brief introduction to the technique, the fundamentals of how the technique works and the information that can be gained, a general discussion of their scope and limitations, applicability and relevance to research.

Data interpretation and the application of it to the understanding of catalyst properties and structure-activity relationships will be introduced for the different techniques.

The techniques to be discussed will include:

X-ray diffraction, Raman spectroscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, atomic force microscopy, scanning tunnelling microscopy, EPR/ENDOR spectroscopy, surface area measurement, scanning electron microscopy, temperature programmed reduction/oxidation/desorption, and catalyst testing.

Essential Reading and Resource List

A specific reading list will be included in the Course Handbook.

Background Reading and Resource List

A specific reading list will be included in the Course Handbook.

CHT221 - Mechanism and Ligand Design in Homogeneous Catalysis

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT221
External Subject CodeF161
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Paul Newman
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module describes the use of metal complexes in homogeneous catalysis, and will cover the deduction of mechanism from experimental data, identification of the important steps common to most catalytic cycles and subsequent methods for improving reactivity/selectivity through appropriate ligand design. Common ligand types and catalysts will be discussed highlighting advantages and disadvantages of the homogeneous approach.

On completion of the module a student should be able to

Knowledge and Understanding

  1. Describe catalytic cycles for major homogeneous catalytic processes;
  2. Identify and understand the individual steps that make up any given catalytic cycle;
  3. Appreciate the range of metals and ligands that can be employed in homogenous catalysis;
  4. Understand the features of a ligand that are important for successful catalysis;
  5. Understand metal-ligand complementarity.

Intellectual Skills

  1. Understand how mechanisms can be derived from experimental data;
  2. Apply knowledge of the fundamental steps of homogeneous catalysis to the assessment of new reactions and/or catalysts;
  3. Draw conclusions about reaction mechanisms from the combination of experimental and spectroscopic data;
  4. Relate the experimental data to the underlying theory;
  5. Design ligands for homogeneous catalysis.

Discipline Specific Skills

  1. Appreciate and understand how metal complexes can be employed as homogeneous catalysts;
  2. Understand the fundamental organometallic reactions that underpin homogeneous catalysis;
  3. Understand how experimental data and spectroscopic methods can be used to deduce the catalytic cycle.

How the module will be delivered

Twelve 1-hour lectures will be used to introduce and explain the course material of the module, which will be further discussed in two 1-hour tutorials

Two 3-hour workshops will be used to cement understanding of the course material and to give experience of handling and interpreting experimental data.

Skills that will be practised and developed

Please see Learning Outcomes.

How the module will be assessed

The module will be assessed by a written exam and through one or more assessed pieces of coursework that will include an oral presentation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 70
mechanism and ligand design in homogeneous catalysis
2 hrs 1 N/A
Written Assessment 30
coursework
N/A 1 N/A

Syllabus content

Essential Reading and Resource List

Please see Background Reading List for an indicative list.

Background Reading and Resource List

Homogeneous Catalysis: Understanding the Art, P. W. N. M. van Leeuwen, Kluwer, 2004, ISBN: 1-4020-1999-8

Mechanisms in Homogeneous Catalysis, B. Heaton (ed.), Wiley-VCH, 2005, ISBN: 3-527-31025-8

Catalysis from A to Z, a Concise Encyclopaedia, 2nd edition, B. Cornils, W. A. Herrmann, R. Schögl, C.-H. Wong (eds.), Wiley-VCH, 2003, ISBN: 3-527-30373-1

Comprehensive Asymmetric Catalysis Vols 1-3, Eric Jacobsen, Andreas Pfaltz, Hisashi Yamamoto (eds.), Springer-Verlag, 1999, ISBN: 3540643362

Catalytic Asymmetric Synthesis, 2nd Edition, I. Ojima, Wiley Blackwell, 2000, ISBN: 0471298050

CHT223 - Biocatalysis II - Industrial Applications of Biocatalysis

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT223
External Subject CodeF165
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module describes the uses that biological catalysts are put to in an industrial context and also how they may be used in the future. Both whole cell and isolated enzyme systems will be described and the pros and cons of biocatalysis versus both traditional chemical transformation and other catalytic systems will be considered. 

Enzyme structure, mechanism and kinetics will be examined plus the use of essential cofactors and recycling.  All of these factors will be used to show how they influence the feasibility of a reaction on an industrial scale and reactor design.

On completion of the module a student should be able to

Knowledge and Understanding

  1. List the principal types of reaction that can be catalysed by enzymes and/or whole cell systems on the industrial scale.
  2. Show what the advantages are over traditional homogeneous and heterogeneous catalysis and also what the problems/limitations are.
  3. Have knowledge of the cofactors needed by isolated enzymes and how (and why) they are recycled.
  4. Describe the chemical mechanisms catalysed by the main types of enzyme used in industry.
  5. Describe the basic types of reactor used in industry for biocatalytic processes.
  6. Describe basic enzyme kinetics in terms of the Michaelis-Menten equation and understand the problems of substrate and product inhibition. 

Intellectual Skills

  1. Apply chemical mechanisms in normal organic reactions to those used by enzymes.
  2. Critically evaluate the pros and cons of using traditional organic chemistry versus biocatalysis for a large scale process
  3. Understand that physical behaviour (shape, structure, allosterism…) is crucial in enzymatic systems as well as chemical reactivity.
  4. Appreciate 3D structure of molecules/macromolecules and stereochemistry.

Discipline Specific Skills

  1. Recognise possibilities for the use of enzymes (or whole cell biocatalysts) in industrial synthetic problems.
  2. Recognise the potential benefits of biocatalysis in terms of economy of reaction steps, mild conditions and generally clean processes.
  3. Understand Michaelis-Menten Kinetics and its implications for enzyme use in organic synthesis.
  4. Critically analyse synthetic routes and identify wasteful and/or inefficient steps.
  5. Describe industrial reactor types suitable for a specific reaction.

How the module will be delivered

The module will consist of twelve 1-hour lectures aimed at explaining each of the topics laid out in the syllabus, supplemented by two 1-hour tutorials. 

Additionally there will be two 3-hour workshops where the students will be given a specific topic where they will have to do some research on their own on a specific biocatalyst, present their work to their peers, and write assessed essays on specific problems in biocatalysis.

Skills that will be practised and developed

Please see Learning Outcomes.

How the module will be assessed

The course will be assessed by a written exam that will test the students’ knowledge gained from the lecture course.

Additionally there will be some workshop coursework which will be assessed both in written (essay) form and in the form of an oral presentation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 30
coursework
N/A 1 N/A
Examination - Spring Semester 70
biocatalysis ii - industrial applications of biocatalysis
2 hrs 1 N/A

Syllabus content

(a) Biocatalysis versus chemical catalysis

Understanding when to use a biocatalyst for a chemical problem.  Advantages/disadvantages of biocatalysts compared to traditional chemical reactions and hetereogeneous/homogeneous catalysis.  Mild reaction conditions, excellent stereo-, chemo- and regio- selectivity versus substrate specificity, product inhibition, lack of catalyst robustness, cofactor recycling.

(b) Isolated enzyme systems and whole cell systems.  Free and immobilized enzymes for biocatalysis.  Water versus organic solvent.

(c) Enzyme structure – primary, secondary, tertiary and quaternary structure. The amino acids, important side chains for reactivity.  Active site, lock and key and induced fit models.

(d) Enzyme kinetics.  The Michaelis-Menten equation.  Product inhibition, cofactor requirements and how they relate to reactor design.

(e) Cofactors – especially NADH in oxidoreductase enzymes.  Recycling of NADH.

(f) Kinetic resolution and dynamic kinetic resolution.

(g) Directed evolution for the development of bespoke biocatalysis.

(h) Enzyme applications.

Essential Reading and Resource List

There is no essential reading for this module.  Please see Background Reading and Resource List for textbook recommendations.

Background Reading and Resource List

Applied Biocatalysis,  2nd edition,  Edited by Adrie J. J. Straathof and Patrick Adlecreutz., CRC press, 2000, ISBN: 9789058230232

Biocatalysis, Fundamentals and Applications, A. S. Bommarius, Bettina R. Riebel Bommarius, Wiley-VCH, 2004, ISBN10: 3527303448  ISBN13: 9783527303441

An Introduction to Enyzme and Coenzyme Chemistry, 2nd edition, Tim  Bugg, Blackwells Science, 2004

Introduction to Biocatalysis using Enzymes and Microorganisms, Stanley M. Roberts, Nicholas J. Turner, Andrew J. Willets, Michael K. Turner, Cambridge University Press, 1995

Biocatalysis and Biodegradation: Microbial Transformation of Organic Compounds, Lawrence P. Wackett and C. Douglas Hershberger, ASM press Washington D.C., 2001

CHT224 - Medicinal Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT224
External Subject CodeF150
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr James Redman
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module discusses the basis of drug design, synthesis, screening and activity. The module will illustrate the biological targets of drugs and the principles of medicinal chemistry with specific examples and case studies. Students will develop an awareness of the drug discovery process from target to lead development through to clinical trials. Examples will include drugs for cancers, antibiotics/antivirals, contraception, and hypertension. The impact of the genome project on drug discovery and the development of modern high through-put solution phase and solid phase synthetic techniques will be introduced.

On completion of the module a student should be able to

How the module will be delivered

The course will consist of a series of lectures aimed at explaining each of the topics laid out in the syllabus. 

Additionally there will be a series of workshops where the students will be expected to consult the literature, interpret data and propose solutions to problems in medicinal chemistry.

Skills that will be practised and developed

Students will be expected to extract information from the published literature and databases. The use of spreadsheets to perform calculations and organise information will be required. Students will undertake problem solving activities and present the results in written form.

How the module will be assessed

The course will be assessed by a written examination that will test the students’ knowledge gained from the lecture course and the ability to solve problems by integrating this knowledge with previously unseen information. Additionally there will be some workshop coursework which will be assessed in written form. This will assess the ability to search and evaluate the literature and propose solutions to open ended problems.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 70
medicinal chemistry
2 hrs 1 N/A
Written Assessment 30
workshops
N/A 1 N/A

Syllabus content

Mandatory content:

a) Lipids, nucleic acids and proteins as targets for drugs.

b) The concepts of receptors, agonists and antagonists.

c) Assays for detecting and quantifying receptor binding.

d) Lead compounds and techniques for lead discovery and optimisation.

e) Structure activity relationships, QSAR, Lipinski’s Rules and pharmacophores.

f) Pharmacokinetics – adsorption, distribution, metabolism, excretion, toxicology.

g) Prodrugs.

h) Use of genomic information in drug discovery – target discovery, validation.

i) Case studies of drugs against particular classes of target:

            Nucleic acids – cis-platin, chlorambucil, aminoglycosides

            Enzyme inhibitors    – bacterial cell wall synthesis – beta-lactams, vancomycin

                                             – reverse transcriptase, AZT

                                             – kinase inhibitors, Glivec

            Receptors                – GPCRs

                                             – nuclear hormone receptors, estrogen receptor antagonists, Tamoxifen

j) Synthesis of drugs:

            Discovery chemistry   – libraries, high throughput synthesis and purification, combinatorial chemistry

            Process chemistry      – considerations for drug manufacture, introduction to GMP

k) Clinical trials, regulation, intellectual property and economic factors in drug discovery.

l) Modern directions and challenges in drug development – biologics, personalised medicine.

Essential Reading and Resource List

Medicinal Chemistry, An Introduction, Gareth Thomas, Wiley. ISBN 0470025980

or

An Introduction to Medicinal Chemistry, Graham L. Patrick, Oxford University Press. ISBN 978-0-19-969739-7 

Background Reading and Resource List

An Introduction to Drug Synthesis, Graham L. Patrick, OUP, ISBN 978-0-19-870843-8.

CHT225 - Practical Catalytic Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT225
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module trains students to use a variety of research methods and techniques applicable to catalysis, thus equipping them with a range of skills, which they can apply to modern laboratory and industrial scale research.

The module will comprise practical work in each of the three delineated areas of catalysis – namely heterogeneous catalysis, homogeneous catalysis and biocatalysis

On completion of the module a student should be able to

  1. appreciate the context of the experiments and research undertaken;
  2. use equipment appropriate to the experiments in a safe and correct way;
  3. obtain and act upon safety and hazard information for chemicals;
  4. use and apply some of the techniques necessary for the preparation of heterogeneous catalysts;
  5. use and apply simple techniques for the isolation of an enzyme from a natural source and assess its concentration;
  6. prepare selected organometallic complexes and employ them as homogeneous catalysts;
  7. assess the activity of different types of catalyst isolated from various sources;
  8. interpret experimental data and make deductions in the light of an existing model for a system;
  9. put new experimental data into the context of what was already known;
  10. prepare a concise account of previous work on a topic from a survey of the literature.

How the module will be delivered

This module will be practical based and so will be delivered as a series of experiments taking place either in the School’s teaching laboratories or in some of the research laboratories.

Skills that will be practised and developed

Discipline Specific (including practical) Skills:

  1. The student will acquire new skills in the area of practical synthesis within a modern laboratory environment.
  2. There will be enhancement of previous spectroscopic knowledge through further study and experiment application.

Transferable Skills:

  1. Experience of team working;
  2. Experience of presenting and assessing data in front of a critical audience;
  3. Writing an account of research in a format suitable for publication in a peer reviewed journal.

How the module will be assessed

The module will be assessed by a combination of written reports and oral presentations.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 100
practical catalytic chemistry
N/A 1 N/A

Syllabus content

Preparation and analysis of heterogeneous catalysts – this will include a literature investigation with students giving an oral presentation of their findings.

Extraction and analysis of biocatalysts from natural and commercial sources.

Preparation and analysis of homogeneous catalysts.

Essential Reading and Resource List

There is no specific reading list associated with this module.

Background Reading and Resource List

There is no specific reading list associated with this module.

CHT226 - Bioinorganic Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT226
External Subject CodeF120
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Ian Fallis
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

Many key processes in biology are enabled by metal ions such as calcium, iron, copper and zinc. In this module the biological functions of a wide range of elements are examined with a particular focus upon the functions of metal ions and their catalytic roles in biology. The module will correlate the fundamental coordination chemistry of metal ions to the wide range of redox, Lewis acidic and structural roles they play in biological structures.

On completion of the module a student should be able to

  1. Describe the range of functions of metal ions in biological systems.
  2. Explain types and classes of metal ligand interactions in metalloenzymes.
  3. Classify the types of metalloproteins and co-factors that incorporate transition metal and main group ions.
  4. Understand from an evolutionary perspective the need for transition metal ions in biological systems.
  5. Classify metalloenzymes by reaction type and illustrate with relevant examples.
  6. Understand the mechanisms of metalloenzyme promoted chemical transformations.
  7. Understand and illustrate the structural roles played by metal in biological environments.

How the module will be delivered

The module will be delivered in 22 1-hour lectures, 3 1-hour workshops, 1 1-hour tutorial and 1 1-hour revision session.

Skills that will be practised and developed

On completion of the module a student will be able to:

How the module will be assessed

A written exam will test the student’s knowledge and understanding as elaborated under the learning outcomes. The coursework will allow the student to demonstrate his/her ability to judge and critically review relevant information.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 30
workshops
N/A 1 N/A
Examination - Spring Semester 70
bioinorganic chemistry
2 hrs 1 N/A

Syllabus content

Essential Reading and Resource List

Bioinorganic Chemistry: Inorganic Elements in the Chemistry of Life - An Introduction and Guide by Wolfgang Kaim, Brigitte Schwederski and Axel Klein

Biochemistry: International Edition by J. M. Berg, J. L. Tymoczko and L. Stryer

Background Reading and Resource List

Further reading will be included in the Course Handbook.

CHT227 - Modern Catalytic Processes

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT227
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Stanislaw Golunski
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module consists of lectures and class tutorials that will develop many of the fundamental concepts in catalysis, and show how they can be applied to some of the major challenges in chemistry, including:

·       Environmental protection (through control of NOx, VOC and CO emissions)

·       Re-designing manufacturing processes to improve efficiency and sustainability

·       Upgrading low-value and waste products

·       Transitioning from conventional catalysis to biocatalysis

·       Replacing supply-limited precious metal catalysts  by less rare materials

The content will draw strongly on the complementary fields of nanoscience, solid-state chemistry, surface science, organometallic chemistry, and synthetic organic chemistry. 

On completion of the module a student should be able to

·       Relate catalyst structure to surface reactivity during heterogeneous gas-phase redox reactions

·       Explain relevant theory such as electronic metal-support interaction

·       Compose hypotheses and propose detailed reaction mechanisms for homogeneous and biocatalytic reactions

·       Demonstrate understanding of new energy technologies based on integrated catalytic components

·       Propose original catalytic solutions to real-world problems

How the module will be delivered

This module consists of 10 lectures (each 2 hours) and 4 interactive sessions (1 hour class tutorials).  The lectures will cover the 4 main themes that are listed under Syllabus Content.  The class tutorials will comprise analysis of research publications.    

Skills that will be practised and developed

The skills acquired will prepare the student for the application of the principles of ‘green catalysis'.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%).  The mark for coursework will be made up of the 4 individual marks (5% each) for the class tutorials.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 20
modern catalytic processes
N/A 1 N/A
Examination - Spring Semester 80
modern catalytic processes
2 hrs 1 N/A

Syllabus content

The syllabus will cover 4 main themes:

(i)             Catalysts for environmental protection -  Whereas the Year 3 Catalysis module focuses on a case study of the three-way catalytic converter for vehicle exhaust after treatment, this module concentrates mainly on treatment of emissions from stationary sources.  There is particular emphasis on the fundamental aspects of the chemistry, in respect to catalyst preparation, microscopic, macroscopic and surface structure, and probing the catalytic mechanism.

(ii)           Enzyme utility in the production of organic chemicals - The focus in this part of the module is on assessing the advantages of using enzymes, particularly the unparalleled rate accelerations and the enhanced enantio/diastereoselectivity that can be achieved.  The module will look at kinetic resolutions, dynamic kinetic resolutions and desymmetrisation reactions, with esterases/lipases featuring mostly. 

(iii)          Homogeneous catalysis in the 21st century  - This part of the module considershow established homogeneous catalytic systems can be improved in terms of both cost and environmental impact.  In particular, application of the principles of ‘green catalysis’ will be emphasised with regard to the nature of the catalyst, the chemical process itself and greener alternatives to established materials.

(iv)          Catalysts for future processes - Starting from the underlying nature of metal-support interactions, the effects of composition and structure on surface reactivity of heterogeneous catalysts are examined.  These correlations are applied to the design of catalysts for new uses, such as energy transformations and waste heat recovery.

Essential Reading and Resource List

‘Handbook of Green Chemistry – Green Catalysis’: Vol. 1 Homogeneous Catalysis; Vol. 2 Heterogeneous Catalysis; Vol. 3 Biocatalysis, eds. P. Anastas and R.H. Crabtree, Wiley VCH, 2009

‘Modern Biocatalysis’, eds. W.-D. Fesner and T. Anthonsen, Wiley-VCH, 2009

‘Expanding the organic toolbox: a guide to integrating biocatalysis in synthesis’ C.M. Clouthier and J.N. Pelletier, Chem. Soc. Rev., 2012, 41, 1585-1605

Background Reading and Resource List

Please see Essential Reading List.

CHT228 - Asymmetric Synthesis of Pharmaceuticals and Natural Products

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT228
External Subject CodeF160
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderProfessor Thomas Wirth
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module consists of a range of examples exposing the students to sophisticated methods in stereoselective synthesis. Building on previous knowledge, advanced methods for stereocontrol in total synthesis, preparation of enantiomerically pure drug molecules, development of stereoselective rearrangement processes as well as the introduction of various enabling technologies will be the main focus of this module. Throughout, the ability to extract stereochemically relevant information from complex syntheses will be a major focus.

On completion of the module a student should be able to

Knowledge

Understanding

How the module will be delivered

This module will be delivered in 10 two-hour lectures, supplemented by 4 1-hour class tutorials, and consists of three blocks, each covering a different aspect of asymmetric synthesis. An initial set of lectures will be used to revise already known principles and reactions and introduce novel methods that can be used to tackle certain problems in asymmetric synthesis together with their theoretical background and any strengths or weaknesses associated with them. These will be followed by three units in which such methods are applied to chemical problems.

Skills that will be practised and developed

Ability to analyse stereochemical problems and provide synthetic solutions.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 2 short, problem-based pieces of work (10% each).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
asymmetric synthesis of pharmaceuticals and natural products
2 hrs 1 N/A
Written Assessment 20
problem-based assignments
N/A 1 N/A

Syllabus content

Alkene Functionalisations

Introduction to advanced asymmetric synthesis. Stereoselective functionalisations of double bonds: Briefly revising Sharpless AE and ADH, Jacobsen, then introduction of other electrophilic reagents including selenium- and iodine-based compounds.  Applications in total synthesis and the synthesis of bioactive compounds will be discussed.

Enabling Tools for Organic Synthesis

As synthesis moves in to the modern era so too does the way in which chemists can conduct chemistry. This part of the course introduces the technical considerations needed for using existing and futuristic synthesis tools such as microwave reactors, photochemical reactors, electrochemistry and continuous flow chemistry. Important factors are being considered when conducting reactions using these methods, there will also be a strong focus on the types of synthetic chemistry suited to these modes.

Organocatalysis

Organocatalysis is defined as the use of a sub-stoichiometric amount of an organic molecule to accelerate the rate of a chemical reaction. This part will serve as an introduction to the diverse and exciting field of organocatalysis and will specifically cover: a historical perspective; benefits and limitations; catalyst synthesis; covalent and non-covalent organocatalytic activation modes; selectivity (regio-, diastereo- and enantiocontrol); applications within industry; applications towards the synthesis of biologically active compounds.

 

Essential Reading and Resource List

An up-to-date reading and resource list will be provided in the first lecture.

Background Reading and Resource List

An up-to-date reading and resource list will be provided in the first lecture.

CHT229 - Advanced Techniques in Organic and Biological Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT229
External Subject CodeF160
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Niklaas Buurma
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

In this module, the application of physical techniques and artificially modified biomolecules to problems in structure and mechanism in organic and biological chemistry research will be discussed. Students will appreciate what information can be gained from each technique and learn how to plan experiments and interpret the resulting data for probing structure, dynamics and reactivity.

On completion of the module a student should be able to

How the module will be delivered

This module will be delivered in 10 two-hour lectures, supplemented by 3 1-hour class tutorials, covering different aspects of organic and biological chemistry. A series of lectures will introduce the methods that can be used to tackle problems in this area, analytical techniques involved and the theoretical background as well as any strengths or weaknesses associated with them. This will be further broadened and deepened in the class tutorials.

Skills that will be practised and developed

Solution of problems by application of knowledge from different areas of chemistry, physics and biology.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 3 problem-based pieces of work (6.67% each).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
advanced techniques in organic and biological chemistry
2 hrs 1 N/A
Written Assessment 20
problem-based assignments
N/A 1 N/A

Syllabus content

Principles of UV/Vis, fluorescence, FRET, and circular dichroism spectroscopies as used in biophysical studies. Solution calorimetric techniques, including DSC and ITC.

Surface plasmon resonance (SPR); SPR instrumentation; SPR methods for determining equilibrium constants and kinetics.

Applications of these techniques to the study of biomolecular structure and interactions, including data analysis and estimation of error margins.

Chemical synthesis of peptides; introduction to the need for, and strategies for production of modified peptides (labels, post-translational modifications); types of peptide modification, PTMs, unnatural amino acids, dyes/fluorophores; solid phase synthesis by the Fmoc method; orthogonal protecting groups (e.g. alloc, Dmab, ivDDE, Mtt) strategies for selective peptide modification; cyclic peptide synthesis, with a case study.

Introduction to protein engineering; rationale for engineering proteins and introduction to protein engineering strategies; de novo design, rational computational design; mutagenesis, protein libraries; screening for function – fluorescence, FACS; selection for function – affinity chromatography, phage display.

Light-responsive molecules; combinations of different synthetic and analytical methods in a biochemical research project; applications of photo-active proteins as nano-switches for biological and medical problems. Modern mass spectrometry instruments and methods for study of biomolecules.

Essential Reading and Resource List

Relevant chapters from textbooks, primary literature and reviews will be indicated in the course, and partially supplied as hand-outs or on Learning Central.

Background Reading and Resource List

Peptide synthesis and applications, John Howl, Humana Press, ISBN 9781588293176.

Relevant chapters from textbooks, primary literature and reviews will be indicated in the course, and partially supplied as hand-outs or on Learning Central.

CHT230 - Chemistry at Phase Boundaries

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT230
External Subject CodeF170
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderPROFESSOR Philip Davies
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

Almost every technological application of chemistry relies upon the interactions that occur across an interface between one or more phases: adhesion, corrosion and heterogeneous catalysis are everyday examples. This module describes some aspects of the cutting edge of research being undertaken in the School related to this field. It considers reactions involving both solid/gas and solid liquid interfaces and discusses some of the unique tools being exploited at Cardiff to investigate the technological problems being faced in these areas.

On completion of the module a student should be able to

How the module will be delivered

The module will be delivered in 10 two-hour lectures, supplemented by 4 one-hour class tutorials.

Skills that will be practised and developed

Please see Learning Outcomes.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 80
chemistry at phase boundaries
2 hrs 1 N/A
Written Assessment 20
workshops
N/A 1 N/A

Syllabus content

A)    Surface techniques

1)    Synchrotron methods

a)     The unique advantages and applications of synchrotron light sources for probing interface environments

b)    EXAFS, surface XRD, NEXAFS and real-time “operando” measurements applied to metallic and oxide catalytic surfaces in situ

2)    Vibrational spectroscopy at surfaces

a)     Symmetry and surface selection rules

b)    Surface-Enhanced Raman Spectroscopy, Shell-Isolated Enhanced Raman Spectroscopy

c)     Reflection Absorption Infra-Red Spectroscopy and Polarisation-Modulated Surface Infra-Red Spectroscopy

B)    Nanoparticle applications and theory

1)    Carbon allotropes

a)     Graphene

b)    Nanotubes

c)     Buckyballs

d)    Synthesis of the above materials

e)     Examples of superior mechanical and electrical properties based on understanding of electronic structure and energy dispersion curves

2)    Shaped nanoparticles

a)     Methods of controlling nanoparticle development in terms of size, shape and composition

b)    Examples of superior catalytic and electrocatalytic materials based on Norskov theory and scaling relationships

C)    Photocatalysis

1)    Photovoltaics – the Grätzel cell

2)    Fundamental concepts – tuning the band gap, the nature of the redox centres, the mobility and concentration of charge carriers, measuring the time scales of molecular and electronic events

3)    Practical details and examples

a)     Water purification

b)    “Solar fuel” synthesis: water splitting, methanol formation  

D)    Surface adhesion from bacteria to aspects of tribology

1)    Friction

2)    Lubricants

3)    Forces between interacting surfaces

4)    Measurement of friction at the nanometre scale

Essential Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

Background Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

CHT231 - Advanced Magnetic Resonance Spectroscopy: Principles and Applications

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT231
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderProfessor Damien Murphy
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

Magnetic resonance techniques, including NMR and EPR, are extremely powerful tools for investigating the structure and dynamics of molecules. This module offers the student the opportunity to study the underlying physical principles of NMR and EPR in both liquid and solid state, and the surrounding magnetic interactions that determine the appearance of the experimental spectra. Coverage of conventional principles in magnetic resonance, showing how the resonance frequency of a nucleus (or electron) is affected not only by the applied field but also by the electronic environment and surrounding nuclei, will be presented to the students. Subsequently the more modern versions of NMR and EPR, based on pulses of EM radiation, will be covered. The basic mathematical principles of the pulse sequences enabling more elaborate NMR experiments to be performed, will be treated, showing how these techniques are necessary to characterise particularly complex systems, such as those encountered in chemical biology. Particular emphasis will be devoted to NMR and EPR/ENDOR analysis of solid state spectra. The anisotropic interactions responsible for the broad and more complex spectral line shapes experienced in the solid state (compared to the isotropic profiles experienced in the liquid state) will be treated using a series of examples. The advanced methodology of angular selective ENDOR, used to analyse and extract structural information, for paramagnetic species in frozen solution, will also be treated.

On completion of the module a student should be able to

How the module will be delivered

The module will be delivered in 10 two-hour lectures, supplemented by 4 one-hour class tutorials.

Skills that will be practised and developed

On completion of the module a student should be able to:

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 3 short, problem-based pieces of work covering each of the three sub-topics.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 80
advanced magnetic resonance spectroscopy: principles and applications
2 hrs 1 N/A
Written Assessment 20
workshops
N/A 1 N/A

Syllabus content

Principles of NMR methodology: The vector model and product operators, building of complex pulse sequences from simpler blocks (eg., spin echo, INEPT, HSQC, 3D/4D multinuclear experiments), decoupling techniques, solvent suppression, the NOE, pulsed field gradients (leading into heavier PFG techniques and DOSY), shaped pulsed and selective excitation, relaxation experiments, protein NMR.

Foundations in Solid State NMR: This part of the course will provide an introduction to solid-state NMR spectroscopy, focusing initially on relevant theoretical background and experimental techniques. The discussion of background theory will highlight the significant differences between solid-state NMR and liquid-state NMR, focusing on the main anisotropic NMR interactions that are important in the solid state. The discussion of experimental strategies will then focus on the techniques for recording: (a) broad-line solid-state NMR spectra (in which the anisotropic NMR interactions are studied), and (b) high-resolution solid-state NMR spectra (in which the aim is to record narrow-line spectra that resemble those recorded in liquid-state NMR). The course will then build upon these foundations by discussing the applications of solid-state NMR to investigate structural and dynamic properties of solids, highlighting the scope and limitations of different types of solid-state NMR technique. Several recent examples of the application of solid-state NMR to solve problems in solid-state and materials chemistry will be presented. Students attending the course will emerge with an appreciation of the types of problem that can be tackled successfully by solid-state NMR, and the particular NMR technique (or combination of techniques) is most suitable for investigating each type of problem.

Angular Selective ENDOR: Finally, the theory and applications of angular selective ENDOR will be presented to the students. The basic principles underlying the EPR technique will be covered, including coverage of the form of the spin Hamiltonian for systems in the solid state. Anisotropy of the g and A hyperfine tensors, and the role of symmetry as manifested in the g/A frame will be presented to the students. Examination of the profiles of EPR spectra in the solid state will then be covered. The lectures will then cover the theory of ENDOR, with particular emphasis on the saturation and relaxation pathways important in this technique. The role of angular selection as a means of determining structural information for paramagnetic centres in the solid state will then be given. Examples of systems with low g anisotropy (no hyperfine interaction) leading to powder ENDOR patterns, and subsequently axial g anisotropy and axial hyperfine, leading so ‘single crystal-like’ ENDOR patterns will then be investigated. The students will then appreciate the experimental approaches taken to obtain EPR and ENDOR spectra of paramagnetic centres in the solid state (primarily in frozen solution) and the general methodologies subsequently involved in the analysis and understanding of the experimental data.

Essential Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

Background Reading and Resource List

Owing to the advanced nature of the material covered in this module, many of the specialist textbooks are not readily available. Therefore an up-to-date reading list will be included in the course handbook. Many important monographs, and reviews pertaining to the module will be available to the students.

CHT232 - Key Skills for Postgraduate Chemists

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT232
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Willock
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module introduces the background knowledge required for an MSc in a chemistry based subject. The course reviews general concepts in Organic, Inorganic and Physical Chemistry to equip students with the basic concepts on which the MSc modules build. The module will begin with a pre-assessment so that students can identify the components of the course most suited to their needs. The choice of components will be made in discussion with student personal tutors who will also act as mentors through the course. A compulsory component of the course will cover research standards and techniques.

On completion of the module a student should be able to

Knowledge

  1. Understand the requirement for independent learning at the MSc level.
  2. Appreciate the main methods for information gathering from literature and internet resources.
  3. Work to bring together concepts from a variety of resources to form an independent opinion without plagiarism.
  4. Appreciate background ideas across the main areas of chemistry of relevance to the MSc programme being studied.

Understanding

  1. Work within the School of Chemistry, learning methods and establishing communication with personal tutor.
  2. Understand the roles of staff members within the School, reporting procedures and expectations for delivery of assessed work.
  3. Apply general chemical concepts at the MSc level and to make links across sub-disciplines.

Skills

  1. Search the literature and collate of information.
  2. Demonstrate basic chemistry skills in the areas of Organic, Inorganic and Physical Chemistry.
  3. Use general concepts of the application of computational methods in chemistry.

How the module will be delivered

The module will start with a formative assessment to identify the optimal choice of components for each student. Component selection will be made and recorded in the first personal tutor meeting.

Concepts will be taught via 10 2-hour lectures, with each student attending 5 optional components and the research standards lecture. Each lecture will be accompanied by an assessed workshop in the area. Workshop material will be introduced during the lecture session and relevant reference material identified. Students will then be expected to carry out independent learning in the area and submit their work against a deadline.

Skills that will be practised and developed

  1. Independent learning skills, use of electronic library resources.
  2. Assessment and understanding of chemical data.

 

How the module will be assessed

The module will be assessed wholly through coursewor.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 100
coursework
N/A 1 N/A

Syllabus content

Research standards and techniques: covering the use of electronic resources for literature and general chemical data.

Standard practices in the production of scientific reports and avoiding plagiarism.

The structure of the School of Chemistry at Cardiff, reporting procedures and methods of assessment. (SEG)

 

Optional components:

1. Structure and Mechanism in Organic Chemistry

2. Asymmetric Synthesis of Pharmaceuticals and Natural Products

3. Advanced Techniques in Organic and Biological Chemistry

4. Introduction to Quantum Mechanics

5. Molecular Modelling

6. Biosynthetic Approach to Natural Products

7. Bioinorganic Chemistry

8. Modern Catalytic Processes

9. Introduction to Statistical Mechanics

Essential Reading and Resource List

Each lecturer will provide details of essential reading.

Background Reading and Resource List

Advanced Organic Chemistry – Reaction Mechanisms and Structure, Smith and March

Advanced Organic Chemistry – Part A: Structure and Mechanisms, Carey and Sundberg

Principles of Biochemistry, 5th Ed., Nelson and Cox, Freeman, ISBN 0-7167-7108-X

Biochemistry, 6th Ed., J. M. Berg, J. L. Tymoczko, L. Stryer, W. H. Freeman, New York.

Homogeneous Catalysis: Understanding the Art, P. W. N. M. van Leeuwen, Kluwer, 2004, ISBN: 1-4020-1999-8

Medicinal Chemistry, an Introduction, G. Thomas, Wiley. ISBN 0470025980

Bioinorganic Chemistry: Inorganic Elements in the Chemistry of Life - An Introduction and Guide, Wolfgang Kaim, Brigitte Schwederski and Axel Klein

Physical Chemistry, Atkins.

CHT234 - Practical Chemical Biology

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT234
External Subject CodeF163
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

 

This module gives an introduction into current methods of Chemical Biology e.g. solid phase synthesis, mass spectrometry, electrophoresis and chromatography. Physical, chemical and biological properties of DNA, peptidomimetics and enzymes are investigated. General strategies from PCR amplification of DNA to extraction and assay of an enzyme are explained and various steps in these procedures will be carried out in the laboratory.

On completion of the module a student should be able to

Knowledge

Understanding

How the module will be delivered

This module consists of three laboratory experiments covering different aspects of peptide, protein and nucleic acid chemistry.

Skills that will be practised and developed

Ability to set up and run chemical biology methods involved in the production, analysis and assay of peptides, proteins and nucleic acids.

How the module will be assessed

The module will be assessed through written reports on practical work in the laboratory.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 100
practical chemical biology
N/A 1 N/A

Syllabus content

A selection of applications across the spectrum of techniques used for the production, analysis and assay of nucleic acids, peptides/peptidomimetics and enzymes. Techniques include solid phase synthesis, polymerase chain reaction, electrophoresis, chromatography and UV/Vis spectroscopy.

Essential Reading and Resource List

Full documentation will be provided in the practical manual.

Background Reading and Resource List

Working with DNA, S. Metzenberg, Taylor & Francis.

Peptide Synthesis and Applications, Ed. J. Howl, Humana Press.

Chemical Approaches to the Synthesis of Peptides and Proteins, P. Lloyd-Williams, F. Albericio, E. Geralt, CRC Press.

CHT235 - Analytical and Structural Techniques in Chemical Biology

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT235
External Subject CodeF163
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDR Yu-hsuan Tsai
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module will provide students with an introduction to the range of structural and analytical techniques that can be applied to diverse problems in chemical biology. Techniques applicable to proteins, nucleic acids, carbohydrates, lipids and low molecular weight metabolites will be discussed. Although the focus will be on experimental techniques, computational methods will also be considered. The ability to extract chemically relevant information from biomacromolecular structures will be explored.

On completion of the module a student should be able to

Knowledge

Understanding

How the module will be delivered

The module will be delivered in 8 two-hour lectures, supplemented by 2 two-hour workshops and 4 one-hour class tutorials.

Skills that will be practised and developed

The ability to analyse structural and analytical data obtained using a range of techniques, and to extract chemically relevant information from the results.

How the module will be assessed

The module will be assessed by a combination of coursework (30%) and written examination (70%). Coursework will be broken down into two shorter, problem based pieces of work (5% each) and two longer, data analysis based pieces of work (10% each).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 30
problem-based assignments
N/A 1 N/A
Examination - Spring Semester 70
analytical and structural techniques in chemical biology
2 hrs 1 N/A

Syllabus content

An overview of structural and analytical techniques in chemical biology, with a specific focus on a few key methods. X-ray crystallography, NMR spectroscopy and mass spectrometry will be considered in detail. In all cases, consideration will be given to the equipment itself, the basic theory underpinning the technique, the nature of the raw data obtained and the processing required to extract useful information. The strengths and limitations of the various techniques will be discussed, along with their applicability to different problems in chemical biology. The ability to obtain information about biochemical processes from structural and analytical information will be explored.

Essential Reading and Resource List

Relevant chapters from textbooks, primary literature and reviews will be indicated in the course.

Background Reading and Resource List

Relevant chapters from textbooks, primary literature and reviews will be indicated in the course.

CHT237 - Bio-imaging Applications of Coordination Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT237
External Subject CodeF120
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Simon Pope
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

The module consists of three main topics associated with the application of inorganic coordination compounds to biological and biomedical imaging: optical, magnetic resonance and radioimaging will be covered. The module will provide a brief technical background to each of the imaging modalities and then focus upon the use and application of metal coordination compounds in each. Aspects of synthesis, spectroscopic characterisation and molecular design will be described, and the ability to rationalise the relationship between complex structure and function (including the biological context) will be a fundamental focus.

On completion of the module a student should be able to

Knowledge

 

Understanding

How the module will be delivered

This module will be delivered in 10 two-hour lectures, supplemented by 4 1-hour class tutorials, and consists of three distinct blocks, each covering a different imaging modality and the type of metal complex that can be applied to it.  A series of lectures will introduce these topics. Three workshops will be used to introduce students to the state-of-the-art via the primary literature.

Skills that will be practised and developed

Ability to rationalise ligand structure, metal complex physical properties, biocompatibility and subsequent applications to a given imaging technique.

The engagement with the primary literature and an ability to scientifically critique published material will be developed.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into three short, problem-based pieces of work (equally weighted).

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
bio-imaging applications of coordination chemistry
2 hrs 1 N/A
Written Assessment 20
workshops
N/A 1 N/A

Syllabus content

Optical imaging using Luminescence

Background on confocal fluorescence microscopy for cellular imaging

Background on photophysics – Stokes shift, Jablonski diagram, time resolved vs steady state measurements,  quenching pathways, types of emission, tuning emission through ligand design.

Types of TM-based lumophore including descriptions of ligand design, photophysics and applications to imaging and biocompatibility

Types of Ln(III)-based lumophore including descriptions of ligand design, photophysics and applications to imaging and biocompatibility

 

Magnetic Resonance Imaging and Contrast Agents

Background on magnetic resonance imaging. The history and the basic principles of the experiment.

Background on the fundamental properties and design of T1 and T2 contrast agents.

Types of complexes used for T1 contrast- lanthanide, transition metal and organic molecules.

Types of complexes used for T2 contrast- lanthanides and transition metal clusters.

Using CEST and PARACEST for imaging.

Assessing new contrast agents – solubility, stability and the NMRD.

Dual mode imaging and the theranostic approach.

 

Gamma Radio-Imaging via SPECT and PET

Background to gamma imaging – physical basis of the techniques, data capture and imaging
Single Photon Emission Tomography (SPECT)
Positron Emission Tomography (PET) – general properties of PET/SPECT isotopes, half lives, imaging resolution, biological matching

Background to functional imaging vs. structural imaging

Ligand design for SPECT and PET isotopes and metal complexes

Essential Reading and Resource List

Principles of Fluorescence Microscopy, J.R. Lakowicz

Background Reading and Resource List

References to the primary literature will be given throughout the series of lectures.

CHT313 - Molecular Modelling

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT313
External Subject CodeF170
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderProfessor Peter Knowles
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module exposes students to the range of computational methods that can be applied to diverse chemical problems, from the structure and property of molecules to chemical thermodynamics, kinetics and reactivity. Methods for describing molecules, ranging from quantum chemical and molecular orbital methods for relatively small molecules to atomistic simulation of larger, more complex systems will be discussed. Throughout, the ability to extract chemically relevant properties from molecular modelling experiments will be a major focus.

On completion of the module a student should be able to

Knowledge

Understanding

How the module will be delivered

This module consists of five distinct blocks, each covering a different aspect of molecular modelling, delivered through four hours of lectures, and supplemented by class tutorials.

Skills that will be practised and developed

Ability to analyse and critically assess various approaches to computational simulation of chemical systems.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into 5 short, problem-based pieces of work (4% each) covering each of the five topics.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 20
problem-based assignments
N/A 1 N/A
Examination - Autumn Semester 80
molecular modelling
2 hrs 1 N/A

Syllabus content

A selection of applications across the spectrum of molecular modelling techniques, including the structure and properties of molecules and their potential energy surfaces, chemical energetics and thermodynamics, chemical reactivity and kinetics.

Molecular Electronic Structure

Correlated wavefunction and density-functional methods; electromagnetic properties; excited states; intermolecular interactions

Model Force Fields

Parameterised forms for bonded interactions; functional forms and methods for parameterisation; specifics for non-bonded interactions: charges, multipoles, Leonard-Jones & Buckingham potentials; application to organic and inorganic systems

Electronic Structure for Catalysis Applications

Hartree-Fock and Density-Functional theories for periodic solids; molecular and dissociative adsorption

Statistical Mechanics and the Monte Carlo Method

The partition function and polymer conformations; classical partition functions; Monte Carlo method; radial distribution functions; thermodynamics of ensembles

Molecular Dynamics

Fundamentals of MD; Born-Oppenheimer, Ehrenfest and Car-Parrinello dynamics; time propagation algorithms; periodic boundary conditions; examples of applications

Essential Reading and Resource List

Molecular Modelling, Principles and Applications, Andrew Leach.

Introduction to Computational Chemistry, Frank Jensen.

Essentials of Computational Chemistry, Christopher J. Cramer.

Background Reading and Resource List

Please see Essential Reading List.

CHT342 - Catalytic Materials for Green Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT342
External Subject CodeF100
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Willock
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module will cover the synthesis, characterisation and simulation of the catalytic materials that find applications in the Green Chemistry and energy sectors. The current trend in chemistry to reduce our dependence on fossil sources of carbon for chemicals and fuels is giving rise to a whole new set of challenges in catalysis. We will survey the synthesis of catalysts and applications that these materials are put to. We will also show how careful characterisation and simulation approaches can give a structure/activity level of understanding in heterogeneous catalysis that helps to design and optimise catalytic materials.

On completion of the module a student should be able to

How the module will be delivered

The module will be delivered through 10 x 2 hr lectures and 4 class tutorials leading into self-learning activities to enhance student understanding and skills in the areas covered by the module. Students will have the opportunity to explore these aspects through independent learning activities alongside the lectures presenting the required material.

Skills that will be practised and developed

Students will have the opportunity to develop their critical analysis and problem solving skills, dealing with data from a variety of methods to come to a rounded understanding of catalyst structure, materials properties and mode of operation in key catalytic processes.

How the module will be assessed

The module will be assessed by a combination of coursework (20%) and written examination (80%). Coursework will be broken down into four short, problem-based pieces of work covering different sub-topics.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 80
catalytic materials for green chemistry
2 hrs 1 N/A
Written Assessment 20
workshops
N/A 1 N/A

Syllabus content

The module will cover the synthesis of catalytic materials for Green Chemistry and energy sectors. The characterisation methods used to measure properties such as the solid phases present, the effective surface area of catalysts and spectroscopic inspection of working catalysts will be addressed. The overall aim of the module is to demonstrate how materials characterisation and simulation can help to inform a mechanistic understanding of heterogeneous catalysis for key reactions.

 

Essential Reading and Resource List

Most of the concepts in this module are covered in any standard Physical Chemistry textbook such as:

Physical Chemistry, 10th Edition, P Atkins and J de Paula, OUP

Background Reading and Resource List

Catalytic Chemistry, B Gates

Principles and Practice of Heterogeneous Catalysis, J M Thomas and W Thomas

Fundamental Concepts in Heterogeneous Catalysis, J K Norskov and F Studt

CHT351 - Drug Discovery Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT351
External Subject CodeF150
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderProfessor Thomas Wirth
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module aims to give students an overview of the methods used by medicinal chemists for synthesis of molecules in drug discovery programmes. Common reactions used in drug discovery for preparation of molecules for structure activity relationship (SAR) studies will be presented. Technologies used to support high-throughput and parallel organic synthesis and purification will be described. Design of experiments and reaction screening will be introduced. Students will have the opportunity to propose strategies for efficient synthesis of novel molecules with a desired biological activity.

On completion of the module a student should be able to

  1. Describe catalysts and reaction mechanisms for commonly used transformations in medicinal organic chemistry;
  2. Devise strategies for efficient preparation of series of related compounds for structure-activity relationship studies;
  3. Devise laboratory scale synthetic routes to novel biologically active organic molecules;
  4. Critically comment upon the trends and challenges for organic synthesis in the pharmaceutical industry;
  5. Apply reactions of carbon atom functionalisation (Pd-catalysis, oxidation, reduction) in drug discovery;
  6. Apply reactions of nitrogen atom functionalisation (amide formation, multicomponent reaction, heterocycle formation) in drug discovery.

How the module will be delivered

The module will consist of a 6 × 2 hour lectures that will introduce the topics laid out in the syllabus. Students will be expected to supplement these lectures with independent research of texts, specialist reviews and peer-reviewed literature and to discuss their findings in 2 × 1 hour formative tutorials. There will be 2 × 2 hour workshops where students will be introduced to synthetic chemistry problems in a drug discovery context, followed by written submission of coursework.

Skills that will be practised and developed

Students will be expected to search and consult the literature and databases, to extract relevant information, to synthesise and critically evaluate their findings, and to apply this new understanding to solve previously unseen problems. Students will have the opportunity develop their communication skills in written and oral form, and to make use of information technology for retrieving, manipulating and presenting chemical information.

How the module will be assessed

The module will be assessed by a written examination that will tests the student’s knowledge gained from the lecture course and the ability to solve problems by integrating this knowledge with previously unseen information. Workshop coursework will assess the ability to integrate the material discussed in lectures with information retrieved from the literature to propose solutions to open ended problems. Students will be expected to demonstrate their competence in the learning outcomes through submission of written coursework.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 70
drug discovery chemistry
2 hrs 1 N/A
Written Assessment 30
workshops
N/A 1 N/A

Syllabus content

Mandatory content:

  1. Sources of compounds for drug discovery: natural products, compound collections, existing drugs;
  2. Reactions for drug discovery chemistry: palladium catalysed cross couplings, acylation, alkylations, sulfonamide formation, SNAr, reductive amination and multicomponent reactions; hydrogenation, amide formation
  3. Asymmetric reactions in drug discovery;
  4. Solid supported reagents and scavengers;
  5. Concepts of experimental design, full factorial design, fractional factorial design;
  6. Introduction to structure activity relationships;
  7. Industry history and current trends.

Essential Reading and Resource List

Organic Chemistry, 2nd edition, J. Clayden, N. Greeves, S. Warren, Oxford University Press, ISBN 978-0-19-927029-3

An Introduction to Medicinal Chemisty, G. L. Patrick, Oxford University Press, ISBN 978-0-19-969739-7

Background Reading and Resource List

An Introduction to Drug Synthesis, G. L. Patrick, Oxford University Press, ISBN 978-0-19-870843-8

The Organic Chemistry of Drug Design and Drug Action, 3rd edition, R. B. Silverman, M. W. Holladay, Academic Press, ISBN 978-0-12-382030-3.

Molecules and Medicine, E. J. Corey, B. Czakó, L. Kürti, Wiley, ISBN 978-0-470-22749-7

CHT352 - Techniques in Drug Discovery

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT352
External Subject CodeF150
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr David Miller
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module concerns the techniques used for discovering ‘hit’ compounds, taking these forward to leads, and compound optimisation. The module will describe both experimental and in silico techniques. Methods of quantifying physico-chemical properties of compounds will be explored and related to compounds’ activity. Receptor binding assays and modelling of drug-receptor interactions will be presented. The module will introduce the student to a variety of key concepts in medicinal chemistry for predicting, measuring and optimising the biological activities of novel compounds.

On completion of the module a student should be able to

  1. Explain the physical basis of drug-receptor interactions and how these lead to biological activity;
  2. Explain the concepts of agonism and antagonism, and how these can be classified and quantified;
  3. Choose appropriate experimental assays for screening, quantification and optimisation of a specified biological activity;
  4. Explain the parameters that are used to describe the physico-chemical properties of compounds;
  5. Use structure activity relationships to make predictions about the activity of compounds;
  6. Use the concepts of SAR, isosteres and pharmacophores to aid design of novel compounds;
  7. Apply rules to predict lead-like and drug-like compounds;
  8. Describe the principles of computational techniques that are used in drug discovery and optimisation;
  9. Critically discuss the merits and disadvantages of different strategies and techniques in drug discovery.

How the module will be delivered

The module will consist of a 6 × 2 hour lectures that will introduce the topics laid out in the syllabus. Students will be expected to supplement these lectures with independent research of texts, specialist reviews and peer-reviewed literature and to discuss their findings in 2 × 1 hour formative tutorials. There will be 2 × 2 hour workshops where students will be introduced to unseen problems in small molecule drug discovery, followed by a written submission of coursework.

Skills that will be practised and developed

Students will be expected to search and consult the literature and databases, to extract relevant information, to synthesise and critically evaluate their findings, and to apply this new understanding to solve previously unseen problems under time pressure. Students will be expected to generate, interpret and present quantitative data. Students will have the opportunity develop their communication skills in written and oral form, and to make use of information technology for retrieving, manipulating and presenting numerical and chemical information.

How the module will be assessed

The module will be assessed by a written examination that will tests the student’s knowledge gained from the lecture course and the ability to solve problems by integrating this knowledge with previously unseen information. Workshop coursework will assess the ability to integrate the material discussed in lectures with information retrieved from the literature to propose solutions to open ended problems. Students will be expected to demonstrate their competence in the learning outcomes through submission of written coursework.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 70
techniques in drug discovery
2 hrs 1 N/A
Written Assessment 30
workshops
N/A 1 N/A

Syllabus content

Mandatory content:

  1. Concepts of receptors, agonists antagonists, partial and inverse agonists. Classification of agonists/antagonists and enzyme inhibitors;
  2. Pharmacodynamics. Quantitative models for receptor binding and antagonism;
  3. Functional and receptor binding assays (e.g. scintillation proximity assay, SPR);
  4. Ion channel assays (fluorescence, electrophysiology);
  5. Descriptors of physico-chemical properties of compounds, pKa, logP, logD, polar surface area etc.
  6. Structure activity relationships and QSAR;
  7. Pharmacophores and (bio)isosteres;
  8. Lipinski rules, rule of 3, ligand efficiency;
  9. Molecular modelling in drug discovery - homology modelling, virtual screening, docking;
  10. Fragment based drug discovery.

Essential Reading and Resource List

An Introduction to Medicinal Chemistry, 5th edition, G. L. Patrick, Oxford University Press, ISBN 978-0-19-969739-7.

Medicinal Chemistry: An Introduction, 2nd edition, G. Thomas, Wiley, ISBN 978-0-470-02597-0.

The Organic Chemistry of Drug Design and Drug Action, 3rd edition, R. B. Silverman, Academic Press,  ISBN 978-0123820303.

The Principles of Drug Design and Action, H. J. Smith, CRC Press, ISBN: 9781281136008.

Background Reading and Resource List

Structure-Based Drug Discovery : An Overview, R. E. Hubbard (ed), RSC Publishing, ISBN 978-0-85404-351-4.

Burger's Medicinal Chemistry and Drug Discovery, Volumes 1-2, A. Burger, D. J. Abraham, Wiley, ISBN 0471370320; ISBN 0471270903.

Methods in Enzymology, Vol. 493, Fragment-based drug design, L. C. Kuo (ed), Academic Press, ISBN 9780123812742.

CHT353 - Drug Targets

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT353
External Subject CodeF151
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderPROFESSOR Nigel Richards
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module will give students an overview of the essential biochemistry and physiology for understanding the mode of action of major classes of drugs against a variety of human diseases. These will include bacterial, viral and fungal infections, various types of cancer, malaria, and other disorders such as depression, chronic pain and obesity. For each disease area, students will see specific target/drug examples drawn from current therapies, and understand how the drug exerts its biological effect. Students will also gain an appreciation of areas of unmet clinical need, novel drug targets and current trends in drug discovery.

On completion of the module a student should be able to

  1. Outline the basic principles of the cell division, differentiation, death and biological signaling;
  2. Describe the biological functions of the major classes of protein that are targets for clinically successful drugs;
  3. Recognise and design structural features that target drugs to membranes and nucleic acids;
  4. With reference to examples, discuss how drug-target interactions leads to therapeutic response in different disease areas;
  5. Explain, at a molecular level, the strategies for targeting bacteria and viruses;
  6. Compare and contrast small molecule drugs and biologics;
  7. Critically evaluate novel drug targeting strategies and industry trends.

How the module will be delivered

The module will consist of a 6 × 2 hour lectures that will introduce the topics laid out in the syllabus. Students will be expected to supplement these lectures with independent research of texts, specialist reviews and peer-reviewed literature and to discuss their findings in 2 × 1 hour formative tutorials. There will be 2 workshops where students will perform independent literature research and some original problem solving in topics drawn from a selection provided by module tutors.

Skills that will be practised and developed

Students will be expected to search and consult the literature, to extract relevant information, to synthesise and review their findings and present these in written and oral form. Students will have the opportunity to produce written electronic documents and illustrations to a professional standard.

How the module will be assessed

The module will be assessed by a written examination that will tests the student’s knowledge gained from the lecture course and the ability to solve problems by integrating this knowledge with previously unseen information. Workshop coursework will allow students to demonstrate their competence in the learning outcomes through submission of written coursework based on topics introduced in lectures supplemented with independent literature research and problem solving.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 30
workshops
N/A 1 N/A
Examination - Autumn Semester 70
drug targets
2 hrs 1 N/A

Syllabus content

1.     Outline of cell structure and the cell cycle

2.     Outline of apoptosis

3.     Outline of gene regulation

4.     Outline of signaling pathways, ion channels and G-protein coupled receptors

5.     Drugs targeting bacterial infections

6.     Drugs targeting viral infections

7.     Drugs targeting cancer

8.     Drugs against other human disease

9.     Biologics – macromolecular drugs

10.   Emerging drug targets, including protein-protein interactions, RNA silencing

Students will have the opportunity to study a particular drug target within a specific disease area in greater depth. A suggested list of topics will be provided by course tutors.

Essential Reading and Resource List

An Introduction to Medicinal Chemistry, 5th edition, G. L. Patrick, Oxford University Press, ISBN 978-0-19-969739-7.

Medicinal Chemistry: An Introduction, 2nd edition, G. Thomas, Wiley, ISBN 978-0-470-02597-0.

Background Reading and Resource List

Henry Stewart Talks: Biomedical & Life Sciences Collection, Small Molecule Drug Discovery Series (on-line resource)

Textbook of Drug Design and Discovery, P. Krogsgaard-Larsen, T. Liljefors (eds.), U. Madsen, CRC Press, eISBN-13: 9780203301371.

The Organic Chemistry of Drug Design and Drug Action, 3rd edition, R. B. Silverman, Academic Press,  ISBN 978-0123820303.

Burger's Medicinal Chemistry and Drug Discovery, Volumes 3-6, A. Burger, D. J. Abraham, Wiley, ISBN 0471370282; ISBN 0471370290; ISBN 0471370304; ISBN 0471370312; ISBN 0471274011.

CHT354 - Drug Development from Laboratory to Clinic

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT354
External Subject CodeF151
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr James Redman
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module concerns the process by which drug leads are progressed through to clinical trials, regulatory approval and marketing. The module will introduce to student the mechanisms by which drugs are delivered to their site of action and their fates in the human body. The process of testing of drug candidates in vitro and in vivo in animals and humans will be described. The issues surrounding production of larger quantities of drug in sufficient quality for clinical work will be introduced. Students will also gain an appreciation of the commercial and regulatory aspects of drug development.

On completion of the module a student should be able to

  1. Describe the stages in the drug discovery “pipeline”;
  2. Explain the factors, besides activity against a target, that are required for a drug to make it to the clinic;
  3. Explain and propose strategies for delivering drugs;
  4. Describe and predict the fates of xenobiotics;
  5. Explain pathways that lead to adverse drug reactions;
  6. Choose and explain in vitro and in vivo assays for lead optimisation and candidate selection;
  7. Identify issues for consideration during the scale up of drug synthesis;
  8. Explain the commercial factors that drive drug discovery in industry.

How the module will be delivered

The module will consist of a 6 × 2 hour lectures that will introduce the topics laid out in the syllabus. Students will be expected to supplement these lectures with independent research of texts, specialist reviews and peer-reviewed literature and to discuss their findings in 2 × 1 hour formative tutorials. There will be 2 workshops where students will perform independent literature research and some original problem solving.

Skills that will be practised and developed

Students will be expected to search and consult the literature and databases, to extract relevant information, to synthesise and critically evaluate their findings, and to apply this new understanding to solve previously unseen problems under time pressure. Students will be expected to generate, interpret and present quantitative data. Students will have the opportunity develop their communication skills in written and oral form, and to make use of information technology for retrieving, manipulating and presenting numerical and chemical information.

How the module will be assessed

The module will be assessed by a written examination that will tests the student’s knowledge gained from the lecture course and the ability to solve problems by integrating this knowledge with previously unseen information. Workshop coursework will assess the ability to integrate the material discussed in lectures with information retrieved from the literature to propose solutions to open ended problems in order to demonstrate achievement of the learning outcomes. One workshop will comprise researching a case study of drug development from initial “hit” through to marketed drug. The second workshop will involve problem solving and data interpretation.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Spring Semester 70
drug development from laboratory to clinic
2 hrs 1 N/A
Written Assessment 15
problem-based workshop
N/A 1 N/A
Written Assessment 15
case study
N/A 1 N/A

Syllabus content

Mandatory content:

  1. Overview of the drug discovery pipeline;
  2. Introduction to phamacokinetics, ADMET;
  3. Drug delivery and dosing;
  4. Metabolism, phase I and phase II
  5. Toxicity, adverse drug reactions - mechanism based, idiosyncratic and reactive metabolites;
  6. Prodrugs and antedrugs;
  7. Assays (profiling, solubility, logD, protein binding, permeability, HERG, P450 induction/inhibition, genotoxicity, stability);
  8. Introduction to process chemistry - route design, reaction scale up, purification, GMP;
  9. Patents;
  10. Introduction to clinical trials and regulation.

Essential Reading and Resource List

An Introduction to Medicinal Chemistry, 5th edition, G. L. Patrick, Oxford University Press, ISBN 978-0-19-969739-7.

Medicinal Chemistry: An Introduction, 2nd edition, G. Thomas, Wiley, ISBN 978-0-470-02597-0.

Introduction to Drug Metabolism, G. G. Gibson, P. Skett, Nelson Thornes, ISBN 9781280239908.

Drugs, From Discovery to Approval, R. Ng, Wiley-Blackwell, eISBN 9780470403570.

Background Reading and Resource List

The Art of Drug Synthesis, D. S. Johnson, J. J. Li (ed), Interscience, eISBN 9780470134962.

Process development: fine chemicals from grams to kilograms, A. Lee, Oxford University Press, ISBN 0198558244.

Drug metabolism in drug design and development: basic concepts and practice, D. Zhang, M. Zhu, W. Humphreys (ed.), Wiley, ISBN 9780471733133.

CHT355 - Trends in Drug Discovery

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT355
External Subject CodeF150
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderProfessor Angela Casini
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module aims to give students a perspective on the current state of drug discovery and how this fits within the bigger picture of healthcare and economics. Trends in disease areas, targets, and new technologies for developing small molecule and biologics will be reviewed. Students will be introduced to the challenges facing the pharmaceutical industry in terms of productivity, intellectual property protection, profits and regulation. Business models for novel drug development novel will be scrutinised. The module will also consider the relationships between different stakeholders including patients, governments, charities and industry.

On completion of the module a student should be able to

  1. Describe how new technologies are being employed to increase productivity in drug discovery;
  2. Describe and explain trends in drug approvals and drugs currently in the pipeline;
  3. Discuss the activities and business models of companies involved in the drug discovery process;
  4. Explain how drug discovery is influenced by financial and regulatory pressures;
  5. Discuss the roles of stakeholders in drug discovery, and the relationships between them;
  6. Describe and critically evaluate strategies to bring drugs to market faster and at lower cost;
  7. Explain the current challenges in global healthcare and suggest ways in which these may be addressed by the various stakeholders in drug discovery.

How the module will be delivered

The module will consist of 12 × 1 hour lectures from different speakers involved in various aspects of drug discovery in industry and academia. Students will have the opportunity to meet with the speakers to discuss their presentation and line of work.  Students will be expected to supplement these lectures with self-directed research of texts, web resources, specialist reviews and peer-reviewed literature. Students will be provided with guidance by a module tutor at two scheduled individual meetings.

Skills that will be practised and developed

Student will need to gather, evaluate and synthesise facts and opinions from multiple sources including lectures, in-person discussions, specialist periodicals and books. Students will develop their ability to summarise and critically review potentially contradictory or incomplete information and opinions. Students will practice presenting complex ideas and arguments in oral and written form to a professional standard with the use of appropriate IT.

How the module will be assessed

Students will be assessed through one piece of written coursework which will comprise critical reviews of current drug discovery. The exact topics of the reviews will be chosen by students with the guidance of a module tutor, but will be expected to address different aspects of drug discovery including technology and commerce. Students will be required to give a short oral presentation on the chosen topic and will be assessed on their choice of content, clarity, logical structure, performance and ability to answer questions.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 60
coursework
N/A 1 N/A
Presentation 40
oral presentation
N/A 1 N/A

Syllabus content

Mandatory content:

  1. Current trends and challenges in drug discovery;
  2. Emerging themes and technologies;
  3. Structure and business models in the drug discovery industry.

Optional content:

Students will be required to develop greater knowledge and understanding of selected areas. The following is a representative, but non-exhaustive list of possible topics.

Technologies/discoveries/emerging areas

  1. Fragment screening methods;
  2. Biological and macromolecular drugs – stem cell therapies, proteins (monoclonal antibodies), nucleic acids and nucleic acid analogues;
  3. High throughput sequencing, its use in uncovering genetic basis of disease and the prospect of personalised medicine;
  4. Alternatives to animal experiments;
  5. Epigenetics;
  6. Drugging protein-protein interactions;

Disease areas

  1. Diseases of aging, particular neurodegenerative disorders (Alzheimer’s);
  2. The challenge of drug resistance – antibiotics and antivirals;
  3. Planning for potential pandemics – influenza, SARS;
  4. Diabetes and obesity;

Commerce and regulation

  1. Models for funding drug discovery e.g. rare diseases, antibiotics;
  2. Outsourcing, contract research, virtual pharma;
  3. Initiatives for sharing of data and compounds;
  4. Repurposing existing drugs;
  5. Effect of intellectual property law on activity in the pharmaceutical industry.

Essential Reading and Resource List

Students will need to select books and resources according to chosen topics which should be discussed with a module tutor.

Background Reading and Resource List

Henry Stewart Talks, Biomedical & Life Sciences Collection. On-line resource. Relevant talks should be selected from the Drug Discovery, Pharmaceutical Science, Diseases, Disorders & Treatments categories.

Pharmaceutical systems, J. Lilja, Wiley, eISBN-13: 9780470754047.

Specialist reviews can be found in the Drug Discovery Today series of journals.

CHT356 - Practical Medicinal Chemistry

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT356
External Subject CodeF150
Number of Credits10
LevelL7
Language of DeliveryEnglish
Module LeaderDr Duncan Browne
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module will involve the synthesis and purification of chemical compounds that have the potential to be inhibitors of medicinally important enzyme targets. Students will work independently and in small teams to learn how to use modern synthetic methods to prepare compounds. design their target compounds, then plan and execute their synthesis. Modern analytical techniques including NMR spectroscopy and LCMS will be used to characterise the products. Groups will need to manage their time and resources in the laboratory and coordinate to produce a final report and presentation.

On completion of the module a student should be able to

  1. Plan a divergent synthetic strategy to efficiently obtain multiple compounds.
  2. Obtain and act upon safety and hazard information for chemicals.
  3. Perform a range of practical techniques in organic synthesis.
  4. Work as a team to efficiently execute multi-step synthesis of several compounds.
  5. Measure and interpret analytical data for small organic molecules.
  6. Discuss assay data in terms of structure activity relationships.

How the module will be delivered

The module will consist of 12 x 6 hour laboratory sessions. The module will be delivered in the School’s teaching laboratories with some use of research laboratories. Groups of students will be provided with guidance by a module tutor at scheduled meetings. Demonstrators will provide guidance during laboratory sessions.

Skills that will be practised and developed

Student will plan the synthesis of a series of enzyme inhibitors based on literature precedent. Students will develop practical skills in synthetic organic chemistry, analysis of organic molecules and interpretation of spectroscopic data.

The module will involve a high degree of team work. Students will be expected to work in small groups to achieve their objectives. Time management will be the students’ responsibility and students will also be expected to operate within a financial budget. Students will practice presenting complex ideas and arguments in oral and written form to a professional standard with the use of appropriate IT.

How the module will be assessed

Students will be assessed through an individual report, a group report and a group presentation. The individual report will be a detailed description of the experimental work performed by an individual student, whereas the group report will draw together the findings of the group as a whole. Reports will be assessed by a module tutor. Group marks will be modulated using a peer assessment strategy in which students rate their own and each other’s contributions to their group’s output.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Practical-Based Assessment 100
practical medicinal chemistry
N/A 1 N/A

Syllabus content

Mandatory content:

The topics will cover practical synthetic organic chemistry, spectroscopic analysis and assay of enzyme inhibitors.

Essential Reading and Resource List

Students will need to select specialist primary journals.

Background Reading and Resource List

Students will need to select specialist primary journals.

CHT401 - Advanced Heterogeneous Catalysis

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT401
External Subject CodeF100
Number of Credits20
LevelL7
Language of DeliveryEnglish
Module LeaderDr Stanislaw Golunski
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module provides students with a comprehensive grounding in the theory and application of heterogeneous catalysis, and makes connections with the concepts of reaction engineering and homogeneous catalysis.

Its aims are to:

(i) Provide a comprehensive overview of the theory and applications of heterogeneous catalysis;

(ii) Demonstrate the progression from classical heterogeneous catalysis to new and emergent catalytic technologies;

(iii) Identify the key challenges for heterogeneous catalysis in the short, medium and long term.

Most of the teaching will be based at the Cardiff School of Chemistry.

On completion of the module a student should be able to

• Correlate catalytic performance with the nature of the active site

• Propose reaction mechanisms for key classes of surface reactions

• Evaluate the relative merits of classic and novel catalyst synthesis routes

• Select the appropriate tools for catalyst discovery, design and optimisation

• Understand the role of heterogeneous catalysis in existing and future processes for chemical manufacture, environmental control and fuel-to-energy transformations

• Relate the principles of heterogeneous catalysis to the complementary fields of homogeneous catalysis and reaction engineering covered in the parallel modules.

How the module will be delivered

Learning and teaching take place through lectures, workshops and problem classes blended with individual study.

Skills that will be practised and developed

(1) Catalyst evaluation: Assessing the advantages and limitations of emergent catalysts and catalytic technologies

(2) Catalyst design: Selecting the components of solid catalysts based on catalytic functionality, from theory, modelling and experimentation

(3) Process optimisation: Proposing strategies for optimising the performance (rate, selectivity, durability) of catalysts and catalytic reactors

How the module will be assessed

The opportunity for reassessment in this module

There will be an opportunity for students who do not achieve 50% in the overall module to re-sit the written examination, with the mark for the reassessment capped at 50%.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 100
advanced heterogeneous catalysis
3 hrs 1 N/A

Syllabus content

  1. Theory and modelling: Use of computation to model (i) active sites in metallic and metal oxide catalysts, and (ii) reaction mechanisms in solid catalysed reactions. Applying the models to simulate catalytic processes on an atomic/molecular scale, and to predict performance of new catalyst compositions and structures.
  2. Biocatalysis: Applications of liquid-phase biocatalysis in the pharmaceutical and food-production industries, based on an understanding the reaction pathways. Biomimetic catalysis. The heterogenisation of homogeneous catalysts.
  3. Reactive characterisation: Use of neutron scattering and x-ray absorption fine structure in identifying active sites.
  4. Environmental catalysis: Catalysts, reactions and reactors used to purify air and water. Mechanisms for reduction of NOx, oxidation of VOCs and combustion of carbon particulate. The effect of environmental legislation on rate of catalyst discovery and time to market.
  5. Photocatalysis: Catalytic concepts for harvesting sunlight. Theoretical basis for using visible light to dissociate water. Design of active surfaces.
  6. Process catalysis: Principles of existing gas- and liquid-phase catalytic manufacturing processes, and the routes to improved sustainability. Issues of scale-up, including conversion of batch to continuous processes. Catalyst manufacture, regeneration and recycling.

Essential Reading and Resource List

The advanced nature of the material in this course means that original research literature is often the key and only source of information. Appropriate references will be given in the course material, and this material will be available online as a resource.

Background Reading and Resource List

Background information and recommended resources will be provided during the introductory phase of the module.

CHT402 - Recent Advances in Homogeneous Catalysis

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT402
External Subject CodeF100
Number of Credits20
LevelL7
Language of DeliveryEnglish
Module LeaderDr Paul Newman
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module will describe a range of topics at the research frontiers of homogeneous catalysis, discussing recent advances in the primary academic literature and the basic principles on which they are based.

Most of the teaching will be based at the Bristol School of Chemistry, but some will be delivered by staff at the other two universities.

On completion of the module a student should be able to

● Have a broad awareness and understanding of current aspects of international homogeneous catalysis research;

● Understand the basic principles of mechanism and structure on which this research is based;

● Understand the experimental and analytical techniques used in this research;

● Apply the knowledge acquired in these specific examples to other primary literature studies of homogeneous catalysts;

● Judge the merit of homogeneous approaches compared to other (heterogeneous, biological) research and be able to tension these.

How the module will be delivered

Concepts are taught during 16 3-hour interactive lectures, including integrated workshop problem solving.

Skills that will be practised and developed

On completion of the module a student will be expected to:

● Analyse the value of recent research in terms of delivering applicable technology;

● Construct viable mechanisms for a broad range of homogeneous catalytic reactions;

● Suggest experimental studies that could validate these mechanisms;

● Appreciate how mechanism aids in understanding and catalyst design;

● Appreciate the integrated nature of scientific enquiry, specifically for catalysis research;

● Select from a large store of factual and conceptual information the components required to solve a problem.

How the module will be assessed

The opportunity for reassessment in this module

There will be an opportunity for students who do not achieve 50% in the overall module to re-sit the written examination, with the mark for the reassessment capped at 50%.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 100
recent advances in homogeneous catalysis
3 hrs 1 N/A

Syllabus content

1. Principles and mechanism

How to Design a Homogeneous Catalyst (Paul Pringle – Bristol)

Using NMR spectroscopy to monitor catalytic reactions and isolating models of catalytic intermediates (Ben Ward – Cardiff)

Modeling for synthetic chemists (Jeremy Harvey – Bristol)

Principles of organic synthesis (Kevin Booker-Milburn – Bristol)

2. Catalysts for complex molecular architectures

Sustainable applications of catalysis - sugars, lignin, CO2, PLA, EtOH and beyond (Matthew Jones – Bath)

Asymmetric Iridium Catalysis (John Bower – Bristol)

Hydroamination (Ruth Webster – Bath)

Asymmetric organocatalysis, and asymmetric transition metal catalysis (Jon Williams – Bath)

NHCs as supporting ligands and Ru/Rh catalyzed transformations (Mike Whittlesey – Bath)

Catalytic aromatic CH activation (Robin Bedford – Bristol)

Practical Catalysis using Gold Complexes (Chris Frost – Bath)

3. Catalysis in the main group

Main Group Elements as Transition Metals (Chris Russell – Bristol)

Main Group Compounds for Molecular Catalysis (Mike Hill – Bath)

Catalysis with Main Group Substrates (Ian Manners – Bristol)

4. Catalysts in new applications

Catalysts in new environments (Duncan Wass – Bristol)

Catalysts under constraint (Paul Newman – Cardiff)

Essential Reading and Resource List

The advanced nature of the material in this course means that original research literature is often the key and only source of information. Appropriate references will be given in the course material, and this material will be available online as a resource.

Background Reading and Resource List

Background information and recommended resources will be provided during the Introductory sessions associated with this module.

CHT403 - Chemical and Catalytic Reaction Engineering

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT403
External Subject CodeH830
Number of Credits20
LevelL7
Language of DeliveryEnglish
Module LeaderDr Jonathan Bartley
SemesterAutumn Semester
Academic Year2016/7

Outline Description of Module

This module introduces the key concepts of reaction engineering for catalysis with particular focus on the tools and models used to evaluate different reactors.

Its aims are to:

(i) Give a critical analysis of chemical and physical interactions in catalytic processes.

(ii) Introduce analysis tools and models for a variety of reactors employing catalysts.

(iii) Provide students with the ability to produce engineering designs for ideal catalytic reactors.

(iv) Introduce the principles and practices underlying the evaluation of kinetic data and process intensification.

Most of the teaching will be based at the Bath Department of Chemical Engineering

On completion of the module a student should be able to

1) Analyse reaction and mass transfer effects in catalytic multiphase processes;

2) Analyse and design and wide variety of reactors;

3) Apply the principles of process intensification to catalytic processes.

How the module will be delivered

Learning and teaching take place through lectures, workshops and problem classes blended with individual study.

Skills that will be practised and developed

On completion of the module the student will be capable of:

(1) Advanced numerical, theoretical and computational methods;

(2) Problem solving.

How the module will be assessed

The opportunity for reassessment in this module

There will be an opportunity for students who do not achieve 50% in the overall module to re-sit the written examination, with the mark for the reassessment capped at 50%.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Examination - Autumn Semester 100
chemical and catalytic reaction engineering
3 hrs 1 N/A

Syllabus content

1) Steps in catalytic processes for various reacting systems: gas/liquid; gas/solid, and gas/liquid/solid.

2) Significance of the rate limiting step in catalytic reactions.

3) Rate of catalytic processes (Langmuir/Hinshelwood and Eley/Rideal kinetics, power law kinetics).

4) Effect of mass transfer: Effective diffusion, convective mass transfer. Concepts of: effectiveness and enhancement factors.

5) Reactor engineering: Material and energy balances for batch, continuous stirred tank and plug flow reactors.

6) Determination of kinetic parameters (differential and integral methods of rate analysis, method of initial rates, methods of half-lives, and differential reactor).

7) Process intensification (Process Intensifying Equipment - microreactors, static mixer reactors, static mixer catalysts, spinning disc reactors, and Process Intensifying Methods - multifunctional reactors, hybrid separation, alternative energy sources).

8) Evaluation of laboratory reactors.

Essential Reading and Resource List

The advanced nature of the material in this course means that original research literature is often the key and only source of information. Appropriate references will be given in the course material, and this material will be available online as a resource.

Background Reading and Resource List

Elements of Chemical Reaction Engineering, H.S. Fogler, Prentice Hall, 2010.

Chemical Reaction Engineering, O. Levenspiel, John Wiley & Sons, 1998.

CHT405 - Research Sabbatical I

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT405
External Subject CodeF100
Number of Credits40
LevelL7
Language of DeliveryEnglish
Module LeaderDr Stanislaw Golunski
SemesterSpring Semester
Academic Year2016/7

Outline Description of Module

This module aims to introduce students to working in an active research environment, allowing them to apply the knowledge gained in the taught portion of the course to a problem of current interest. Practical skills, project planning, literature searching, scientific writing, and presentation will form part of the module, along with a deeper understanding of the particular subject matter involved.

On completion of the module a student should be able to

1) Review current literature on a specified topic, using traditional and electronic media, and hence assess the viability and necessary resources for a project

2) Produce a research plan, including milestones and timing, and implement this plan over the course of a project

3) Write a detailed report on a piece of research, in the form of, and of a standard suitable for publication in a peer-reviewed journal

4) Present the major findings of their research to an audience of peers and interested non-specialists

5) Indicate briefly how their research might be followed up, and produce an outline research proposal for a subsequent project

How the module will be delivered

During the first two weeks of the project, students will be required to perform an in-depth literature review on their chosen research topic. A project plan will then be drafted and agreed with supervisors.

Much of the learning during the project will be of a ‘hands-on’ nature, with students expected to enhance their knowledge of particular techniques or software packages through in-depth practical exercise. Work will be carried out within active research groups, such that lecturers and experienced graduate students will be constantly on hand to offer both practical and theoretical advice throughout this period. Contact between students and supervisors will be encouraged, as will group working between students (where appropriate).

Project plans will include several milestones for the project with possible dates for achievement – these will be regularly reviewed (and if necessary, revised) with the supervisor. This should not only ensure that students understand what is required of them, but also that they become familiar with the process of planning, performing, and assessing an in-depth research project.

The written assessment will take the form of a journal style write-up (about 8 pages, ~ 4,000 words). Students will also present their findings as an oral presentation in a symposium that will be organised at the end of the module.

Skills that will be practised and developed

(1) Practical Skills

(2) Project planning

(3) Scientific writing

(4) Oral presentation

How the module will be assessed

The opportunity for reassessment in this module

The progress of the research sabbatical work will be monitored by your research supervisor in conjunction with your personal tutor. If there is cause for concern on the progress made they will advise you on best research practices. It is important that you fully engage with the research sabbatical and failure to do so may result in exclusion from submission of a report and oral assessments. In the event of a student’s overall mark falling below the 50% pass mark, a single re-assessment will take place, comprising an additional written report assessed in the usual way. Students passing the re-assessment will be awarded the module credit but with a mark capped at 50%.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 40
written report (~4,000 words)
N/A 1 N/A
Presentation 20
oral presentation
.5 hrs 1 N/A
Oral/Aural Assessment 20
oral examination
.5 hrs 1 N/A
Report 20
supervisor’s report
N/A 1 N/A

Syllabus content

1) Literature review on background and related current work; Project planning, including overall goals and individual milestones and timings.

2) Familiarisation with specific laboratory and/or computational techniques required for project; Application to preliminary problems, and assessment of viability of project goals and timing.

3) Application to full scale research problems; Recording, analysis, and interpretation of results.

4) Review of project goals and milestones in the light of initial results; Re-draft of project plan

5) Drafting, revision, and final presentation of journal style report; Oral presentation of results, with question & answer session; Outline of proposal for subsequent research.

Essential Reading and Resource List

Project-specific textbooks & research papers

Background Reading and Resource List

The Craft of Scientific Writing, M. Alley, Springer-Verlag 1996

CHT406 - Research Sabbatical II

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT406
External Subject CodeF100
Number of Credits40
LevelL7
Language of DeliveryEnglish
Module LeaderDr Jonathan Bartley
SemesterDissertation Semester
Academic Year2016/7

Outline Description of Module

This module aims to introduce students to working in an active research environment, allowing them to apply the knowledge gained in the taught portion of the course to a problem of current interest. Practical skills, project planning, literature searching, scientific writing, and presentation will form part of the module, along with a deeper understanding of the particular subject matter involved.

On completion of the module a student should be able to

1) Review current literature on a specified topic, using traditional and electronic media, and hence assess the viability and necessary resources for a project

2) Produce a research plan, including milestones and timing, and implement this plan over the course of a project

3) Write a detailed report on a piece of research, in the form of, and of a standard suitable for publication in a peer-reviewed journal

4) Present the major findings of their research to an audience of peers and interested non-specialists

5) Indicate briefly how their research might be followed up, and produce an outline research proposal for a subsequent project

How the module will be delivered

During the first two weeks of the project, students will be required to perform an in-depth literature review on their chosen research topic. A project plan will then be drafted and agreed with supervisors.

Much of the learning during the project will be of a ‘hands-on’ nature, with students expected to enhance their knowledge of particular techniques or software packages through in-depth practical exercise. Work will be carried out within active research groups, such that lecturers and experienced graduate students will be constantly on hand to offer both practical and theoretical advice throughout this period. Contact between students and supervisors will be encouraged, as will group working between students (where appropriate).

Skills that will be practised and developed

(1) Practical Skills

(2) Project planning

(3) Scientific writing

(4) Oral presentation

How the module will be assessed

The opportunity for reassessment in this module

The progress of the research sabbatical work will be monitored by your research supervisor in conjunction with your personal tutor. If there is cause for concern on the progress made they will advise you on best research practices. It is important that you fully engage with the research sabbatical and failure to do so may result in exclusion from submission of a report and oral assessments. In the event of a student’s overall mark falling below the 50% pass mark, a single re-assessment will take place, comprising an additional written report assessed in the usual way. Students passing the re-assessment will be awarded the module credit but with a mark capped at 50%

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Report 20
supervisor’s report
N/A 1 N/A
Presentation 20
oral presentation
.5 hrs 1 N/A
Written Assessment 40
written report (~4,000 words)
N/A 1 N/A
Oral/Aural Assessment 20
oral examination
.5 hrs 1 N/A

Syllabus content

1) Literature review on background and related current work; Project planning, including overall goals and individual milestones and timings.

2) Familiarisation with specific laboratory and/or computational techniques required for project; Application to preliminary problems, and assessment of viability of project goals and timing.

3) Application to full scale research problems; Recording, analysis, and interpretation of results.

4) Review of project goals and milestones in the light of initial results; Re-draft of project plan

5) Drafting, revision, and final presentation of journal style report; Oral presentation of results, with question & answer session; Outline of proposal for subsequent research.

Essential Reading and Resource List

Project-specific textbooks & research papers

Background Reading and Resource List

The Craft of Scientific Writing, M. Alley, Springer-Verlag 1996.

CHT406 - Research Sabbatical II

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT406
External Subject CodeF100
Number of Credits40
LevelL7
Language of DeliveryEnglish
Module LeaderDr Jonathan Bartley
SemesterDissertation Semester
Academic Year2016/7

Outline Description of Module

This module aims to introduce students to working in an active research environment, allowing them to apply the knowledge gained in the taught portion of the course to a problem of current interest. Practical skills, project planning, literature searching, scientific writing, and presentation will form part of the module, along with a deeper understanding of the particular subject matter involved.

On completion of the module a student should be able to

1) Review current literature on a specified topic, using traditional and electronic media, and hence assess the viability and necessary resources for a project

2) Produce a research plan, including milestones and timing, and implement this plan over the course of a project

3) Write a detailed report on a piece of research, in the form of, and of a standard suitable for publication in a peer-reviewed journal

4) Present the major findings of their research to an audience of peers and interested non-specialists

5) Indicate briefly how their research might be followed up, and produce an outline research proposal for a subsequent project

How the module will be delivered

During the first two weeks of the project, students will be required to perform an in-depth literature review on their chosen research topic. A project plan will then be drafted and agreed with supervisors.

Much of the learning during the project will be of a ‘hands-on’ nature, with students expected to enhance their knowledge of particular techniques or software packages through in-depth practical exercise. Work will be carried out within active research groups, such that lecturers and experienced graduate students will be constantly on hand to offer both practical and theoretical advice throughout this period. Contact between students and supervisors will be encouraged, as will group working between students (where appropriate).

Skills that will be practised and developed

(1) Practical Skills

(2) Project planning

(3) Scientific writing

(4) Oral presentation

How the module will be assessed

The opportunity for reassessment in this module

The progress of the research sabbatical work will be monitored by your research supervisor in conjunction with your personal tutor. If there is cause for concern on the progress made they will advise you on best research practices. It is important that you fully engage with the research sabbatical and failure to do so may result in exclusion from submission of a report and oral assessments. In the event of a student’s overall mark falling below the 50% pass mark, a single re-assessment will take place, comprising an additional written report assessed in the usual way. Students passing the re-assessment will be awarded the module credit but with a mark capped at 50%

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Written Assessment 40
written report (~4,000 words)
N/A 1 N/A
Presentation 20
oral presentation
.5 hrs 1 N/A
Oral/Aural Assessment 20
oral examination
.5 hrs 1 N/A
Report 20
supervisor’s report
N/A 1 N/A

Syllabus content

1) Literature review on background and related current work; Project planning, including overall goals and individual milestones and timings.

2) Familiarisation with specific laboratory and/or computational techniques required for project; Application to preliminary problems, and assessment of viability of project goals and timing.

3) Application to full scale research problems; Recording, analysis, and interpretation of results.

4) Review of project goals and milestones in the light of initial results; Re-draft of project plan

5) Drafting, revision, and final presentation of journal style report; Oral presentation of results, with question & answer session; Outline of proposal for subsequent research.

Essential Reading and Resource List

Project-specific textbooks & research papers

Background Reading and Resource List

The Craft of Scientific Writing, M. Alley, Springer-Verlag 1996.

CHT407 - Key Skills Workshops

SchoolCardiff School of Chemistry
Department CodeCHEMY0
Module CodeCHT407
External Subject CodeF100
Number of Credits20
LevelL7
Language of DeliveryEnglish
Module LeaderDr Stanislaw Golunski
SemesterDouble Semester
Academic Year2016/7

Outline Description of Module

This module provides students with a comprehensive grounding in the key skills required to undertake a PhD in Catalysis and comprises formal training courses and exercises to develop personal and professional skills. These will include a journal club, scientific writing and presentation skills, talks from external speakers, and technique of the week.

Its aims are to:

(i) Provide students with training in communicating scientific material;

(ii) Introduce students to searching, discussing, reviewing and summarising published literature;

(iii) Encourage personal and professional development in the key skills required for scientific research.

Teaching will be split between Cardiff, Bath and Bristol.

On completion of the module a student should be able to

• Critically evaluate scientific literature

• Communicate scientific material using oral and poster presentations

• Write scientific reports in the styles required for grant applications and journal articles

• Understand the information that can be obtained from different characterisation techniques and identify the most appropriate techniques to obtain different information about catalysts and catalytic processes.

• Work as part of a team.

How the module will be delivered

Learning and teaching take place through seminars, workshops and problem classes blended with individual study.

Skills that will be practised and developed

(1) Scientific writing.

(2) Oral and poster presentations.

(3) Reading, reviewing and critically evaluating scientific literature.

(4) An understanding of characterisation techniques that can be used in catalysis research and the information that can be obtained from these.

(5) Interpersonal skills, decision making, teamwork

How the module will be assessed

The opportunity for reassessment in this module

Re-assessment will be based on a tailored assignment followed by an oral exam.

Assessment Breakdown

Type % Title Duration(hrs) Period Week
Oral/Aural Assessment 50
journal club
N/A 1 N/A
Report 50
technique of the week
N/A 1 N/A

Syllabus content

1) Journal Club: students are each assigned academic journals to search and summarise interesting and important articles for the rest of the cohort.

2) Technique of the week: the important characterisation techniques for catalysis are described and demonstrated ‘hands-on’ by the technicians and academics running these services at the partner universities. This will be supported by innovative electronic material that already forms part of the Bristol postgraduate ‘Dynamic Laboratory Manual’ (DLM).

3) An introduction to scientific writing for grant and fellowship proposals and journal articles.

4) An introduction to the importance of public engagement and how this can be achieved.

Essential Reading and Resource List

The advanced nature of the material in this course means that original research literature is often the key and only source of information. Appropriate references will be given in the course material, and this material will be available online as a resource.

Background Reading and Resource List

Background information and recommended resources will be provided during the course.