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

For academic year: 2024/25 Last Updated: 17 May 2024

CHE-30056 - Advanced Physical and Inorganic Chemistry
Coordinator: Chris Hawes Tel: +44 1782 7 32820
Lecture Time: See Timetable...
Level: Level 6
Credits: 15
Study Hours: 150
School Office: 01782 734921

Programme/Approved Electives for 2024/25

None

Available as a Free Standing Elective

No

Co-requisites

None

Prerequisites

None

Barred Combinations

None

Description for 2024/25


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-30056/lists

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

1: Exam weighted 60%
In-person Open Book Exam - 3hrs
An in-person, invigilated, PC-lab based, open book exam of 3 hr duration for 100 marks with a degree of choice

2: Exercise weighted 10%
Gaussian Exercise
Use of the Gaussian software to calculate and analyse molecular geometry and examine the effect of changing basis sets, equivalent to ~500 words. Description of the problem, the approach and appropriate input and output data and files.

3: Coursework weighted 30%
Spectroscopy and Reaction Dynamics Coursework
A series of problem-solving exercises on the topics of reaction dynamics and transition metal electronic spectroscopy, equivalent to ~750-1000 words. Answers will require the location and extraction of information and experimental data from peer-reviewed sources and their use in the analysis, interpretation and application of key models and concepts.

Please note that for the 2022/23 Academic Year programmes may be adapted to operate in accordance with a flexible, digital approach. This means that there may be some changes made to how modules are delivered and assessed. The latest information will be provided to you by your School in module handbooks. We endeavour to give you as much notice as possible of any changes and details about the circumstance in which changes are made to programmes can be found in the Student Agreement, available at: https://www.keele.ac.uk/student-terms-and-conditions/

Last Updated: 17 May 2024