CHE-30042 - Module Specification
School of Chemical and Physical Sciences
Faculty of Natural Sciences

Programme/Approved Electives for 2020/21

Available as a Free Standing Elective

Co-requisites

None

Prerequisites

None

Barred Combinations

None

Description for 2020/21

This module builds upon important theories and concepts in inorganic, physical and solid state chemistry introduced at Levels 4 and 5, and introduces phenomena on the molecular and macroscopic scale. The principal topics are quantum chemistry, reaction dynamics and electronic spectroscopy. The topics covered in this module are complemented by coursework items: students have the opportunity to use computational chemistry software to perform quantum mechanical calculations, and locate and analyse data from scientific literature relating to reactions dynamics, electronic spectroscopy and magnetism.

- To build upon theories and concepts in inorganic, physical and solid state chemistry introduced at Levels 4 and 5.
- To develop skills in information retrieval and the use of computational chemistry software.
- To develop analytical, problem solving and organisational skills.

Intended Learning Outcomes

analyse and interpret experimental data related to the electronic spectra of transition metal complexes: 1,2
apply the principles of quantum theory to calculate wavefunctions for atoms and molecules, and show how orbital energies are obtained from these: 2
apply the Hückel approximation to derive pi molecular orbital energy level diagrams for selected conjugated molecules: 2
describe, compare and contrast ab initio Hartree-Fock and density functional approaches in computational chemistry: 1,2
apply appropriate methods to perform selected quantum chemistry calculations using computational chemistry software packages: 1
locate, extract, interpret and analyse qualitative, quantitative, methodological and conceptual information from scientific literature: 1
compare, contrast and apply theories of elementary reactions to account for experimental observations: 1,2
calculate rate constants for model reactions, and make predictions about the rates and Arrhenius parameters of elementary reactions: 1,2

Study hours

Lectures, screencasts and workshops: 32 hours
Portfolio: 50 hours
Assessed Problems preparation: 68 hours

School Rules

Satisfactory Progression from Level 5 Single Honours or Dual Honours Chemistry or equivalent.

Description of Module Assessment