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MChem Chemistry with International Study

Year of entry: 2024

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Course unit details:
Group Theory: Fundamentals and Applications

Course unit fact file
Unit code	CHEM20311
Credit rating	10
Unit level	Level 2
Teaching period(s)	Semester 1
Available as a free choice unit?	No

Overview

to identify symmetry elements (the identity, proper and improper rotation axes, mirror plane, inversion centre) in a given molecule and hence to assign the molecule to its point group, based on knowledge of its shape
to understand the content of point group character tables and how to extract information from them
to understand how to obtain the symmetries of the degrees of freedom in a molecule
to understand how to use Group theory to perform a complete or partial vibrational analysis of a given molecule and to use that analysis together with experimental data to deduce molecular structure
to use the concepts of high and low symmetry and the relationship between them to solve structural and spectroscopic problems
to understand how to obtain the symmetries of groups of orbitals in a molecule
how to set up a Walsh correlation diagram
to use Group Theory to set up a molecular orbital bonding scheme for a d-transition metal complex
to understand the ordering of ligands in the spectrochemical series
to predict distortion based on symmetry considerations
to introduce and to use the projection operator
to understand and be able to use Walsh correlation diagrams and MO theory to explain key chemical trends in the p-block.

Pre/co-requisites

Unit title	Unit code	Requirement type	Description
Introductory Chemistry	CHEM10101	Pre-Requisite	Compulsory
Energy and Change	CHEM10212	Pre-Requisite	Compulsory
Coordination Chemistry	CHEM10312	Pre-Requisite	Compulsory
Structure and Reactivity	CHEM10412	Pre-Requisite	Compulsory
	CHEM10520	Pre-Requisite	Compulsory
Chemists' Toolkit II	CHEM20500	Co-Requisite	Compulsory
Integrated Spectroscopy and Separations	CHEM20611	Co-Requisite	Compulsory
Organic Synthesis	CHEM20411	Co-Requisite	Compulsory

Aims

The unit aims to enable students at the end of this module to:

describe and explain the fundamental principles of group theory as used in Chemistry
apply group theory methods to interpret, predict and rationalise spectroscopic data
apply group theory to develop models to rationalise chemical bonding
apply group theory to describe the electronic structure of d-transition metal complexes

Learning outcomes

On successful completion of the course students should be able to:

describe and explain the fundamental principles of group theory as used in Chemistry
apply group theory methods to interpret, predict and rationalise spectroscopic data
apply group theory to develop models to rationalise chemical bonding
apply group theory to describe the electronic structure of d-transition metal complexes

Syllabus

Knowledge and understanding

Use concepts of molecular symmetry to identify physical properties
Construct molecular orbitals and understand their role in determining molecular properties and reactivity

Intellectual skills

Reflective skills on prior learning
Chemical problem-solving
Spectroscopic data analysis
Structure analysis and prediction
Understand the principles and application of spectroscopic techniques to the determination of molecular structure

Transferable skills and personal qualities

Problem-solving, analytical skills and time management.

Assessment methods

Method	Weight
Other	20%
Written exam	80%

Online tests - 20%

Feedback methods

Workshops (1 hour weekly)

Tutorials (3 × 1 hour during course)

E-learning (on-line formative quizzes, self-help tutorial web-sites)

Office hours (weekly during course)

Rolling feedback (answers to FAQs on <blackboard>)

Pre-examination revision sessions (practice test for on-line assessment, revision class during examination period)

Post-examination feedback (able to view marked examination scripts)

Recommended reading

Recommended textbooks:

Introductory texts
(a)   Group theory for chemists: fundamental theory and applications, K. C. Molloy, 541.5/M91 https://www.sciencedirect.com/book/9780857092403/group-theory-for-chemists
(b)   Molecular symmetry and group theory: a programmed introduction to chemical applications, A. Vincent, 541.5/V17
(c)   Introduction to molecular symmetry, J. S. Ogden, Oxford Chemistry Primer, no. 97, 541.5/O31 https://bibliu.com/app/#/view/books/9780198559108/epub/html/toc.html
(d)   Group theory for chemists, G. Davidson, 541.5/D6
(e)   Beginning group theory for chemists, P. H. Walton, 541.5/W29

Advanced texts
(a)   Chemical applications of group theory, F. A. Cotton, 541.5/C
(b)   Symmetry and structure (readable group theory for chemists), S. F. A. Kettle, 541.5/K26
(c)   Molecular symmetry, D. J. Willock, 541.5/W33 https://onlinelibrary-wiley-com.manchester.idm.oclc.org/doi/book/10.1002/9780470747414
(d)   Orbital Interactions in Chemistry, T. A. Albright, J. K. Burdett, M.-H. Whangbo
   online e-book: https://onlinelibrary.wiley.com/doi/book/10.1002/9781118558409

Compilation of data
Point group character tables and related data, J. A. Salthouse and M. J. Ware, 541.5/S

Interactive websites for symmetry
https://www.ch.ic.ac.uk/local/symmetry/
https://symotter.org/
https://www.chemtube3d.com/category/structure-and-bonding/symmetry/
https://www.staff.ncl.ac.uk/j.p.goss/symmetry/Molecules_pov.html

Study hours

Scheduled activity hours
Assessment written exam	2
eAssessment	1
Lectures	11
Practical classes & workshops	11
Tutorials	3

Independent study hours
Independent study	72

Teaching staff

Staff member	Role
David Collison	Unit coordinator

Additional notes

There is a strict work and attendance requirement on this course. In particular, attendance at workshops will be closely monitored and if attendance falls below 66% you will be excluded from taking the resit exam.

You must inform your lecturer or the School of Natrual Sciences Hub immediately if you miss a workshop for a legitimate reason e.g. medical..

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