CHE-30042 - Inorganic, Physical and Solid State Chemistry
Coordinator: Laura M Hancock Tel: +44 1782 7 33320
Lecture Time: See Timetable...
Level: Level 6
Credits: 15
Study Hours: 150
School Office: 01782 734921

Programme/Approved Electives for 2021/22

None

Available as a Free Standing Elective

No

Co-requisites

None

Prerequisites

None

Barred Combinations

None

Description for 2021/22

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.

Aims
- 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.

Talis Aspire Reading List
Any reading lists will be provided by the start of the course.
http://lists.lib.keele.ac.uk/modules/che-30042/lists

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

1: Portfolio weighted 35%
A portfolio of tasks based on scientific literature and computational chemistry software.
(i) Analysis of Scientific Literature: Analysis, simulation and interpretation of experimental data; analysis and interpretation of models and concepts; location and extraction of information (some of which will require further calculations, assumptions, reasoning and research); making predictions and drawing conclusions based on information (some of which may be incomplete). (ii) Computational Chemistry Calculations: Description of the problem, the approach and appropriate input and output data and files.

2: Open Book Assessment weighted 65%
Open Book Assessment
A mixture of time limited short and long assessment problems employing a range of question and answer formats. The student effort is equivalent to that required to prepare for and complete a 2 hour examination.