
Academic Year:  2012/3 
Owning Department/School:  Department of Chemistry 
Credits:  6 
Level:  Intermediate (FHEQ level 5) 
Period: 
Semester 1 
Assessment:  EX 100% 
Supplementary Assessment:  Likeforlike reassessment (where allowed by programme regulations) 
Requisites:  In taking this unit you cannot take CH20151 or take CH20152 
Description:  Aims: First half of year long unit: To introduce and expand on advanced physical chemistry methods in kinetics, spectroscopy, surfaces and quantum mechanics. Learning Outcomes: After studying this Unit, students should be able to: * Describe some experimental methods for investigating reaction rate and mechanism and how kinetic parameters may be calculated. * Account in kinetic terms for the mechanism of a range of reactions. * Analyse kinetic data in terms of a number of theoretical models * Describe the fundamental processes that lead to absorption, emission and scattering of electromagnetic radiation from molecular species, and interpret IR and Raman spectra. * Define the terms 'wavefunction' and 'eigenvalue'. * Relate physical models to quantisation of molecular and electronic energies. * Use quantum mechanical methods to generate and rationalise the structure and bonding in organic molecules. Skills: Numeracy (F, A), Problem solving (T, F, A), Independent working (F). Content: Revision of basics of reaction kinetics  order, molecularity, temperature effects. Kinetic treatment of more complex mechanisms such as chain and oscillating reactions, enzyme kinetics. Theoretical treatments of reaction kinetics and examples of their application. e.g. collision theory, transition state theory. Experimental methods for studying reactions. The physical basis of spectroscopy, developing from the basic quantum mechanics of simple molecules to the interpretation of spectra of complex molecules. Basic principles of quantum mechanics; wavefunctions, eigenvalues and operators. Solving the Schrödinger equation and the calculation of energy levels. Development of the variation method applied to diatomic molecules and hydrocarbons. Calculation of electronic and bonding energies. The relationship between molecular orbitals, electron density and reactivity. 
Programme availability: 
CH20178 is Optional on the following programmes:Department of Chemistry
