CHE-30056 - Module Specification
School of Chemical and Physical Sciences
Faculty of Natural Sciences

Programme/Approved Electives for 2023/24

Available as a Free Standing Elective

Co-requisites

None

Prerequisites

None

Barred Combinations

None

Description for 2023/24

This module builds upon important theories and concepts in inorganic and physical chemistry introduced at Levels 4 and 5, and introduces and explores new phenomena on the molecular and macroscopic scale. The principal topics are quantum chemistry, reaction dynamics and transition metal electronic spectroscopy. The topics covered in this module are complemented by coursework items: you will have the opportunity to use computational chemistry software to perform quantum mechanical calculations, and put theory into practice by locating and analysing real data from the scientific literature to solve problems relating to reactions dynamics and electronic spectroscopy.

- 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: 1,3
apply the principles of quantum theory to calculate wavefunctions for atoms and molecules, and show how orbital energies are obtained from these: 1
apply the Hückel approximation to derive pi molecular orbital energy level diagrams for selected conjugated molecules: 1
describe, compare and contrast ab initio Hartree-Fock and density functional approaches in computational chemistry: 1
apply appropriate methods to perform selected quantum chemistry calculations using computational chemistry software packages: 2
locate, interpret and analyse information from primary literature sources relevant to advanced concepts in physical and inorganic chemistry: 3
compare, contrast and apply theories of elementary reactions to account for experimental observations: 1,3
calculate rate constants for model reactions, and make predictions about the rates and Arrhenius parameters of elementary reactions: 1,3

Study hours

Total Active Learning Hours: 22 hours
Interactive Lectures: 20 hours
PC Lab Workshop: 2 hours
Total Independent study: 128 hours
Pre-class work and revision: 12 hours
Coursework and Exam Preparation:113 hours
Exam: 3 hours

School Rules

None

Description of Module Assessment