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.

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.

33 1-hour lectures, 30 (10 x 3) hours of practical work, 4 1-hour tutorials

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, ¹³C or ³¹P NMR spectrum;
12. elucidate molecular composition using a mass spectrum;
13. use combined spectroscopic and analytical data in the determination of molecular structure and geometry.

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.

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, ¹³C, ³¹P, ¹⁹F; decoupling

Mass Spectrometry

Ionisation techniques

Fragmentation patterns

Isotope patterns

Problem solving

Use of combined spectroscopic and analytical data in structure determination

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