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2019/20 Undergraduate Module Catalogue

CHEM3131 Chemical Bonding and Reactivity

10 creditsClass Size: 120

Module manager: Dr Julia Lehman

Taught: Semester 1 View Timetable

Year running 2019/20

Pre-requisite qualifications

Level 2 in Chemistry or equivalent

This module is not approved as a discovery module


On completion of this module students should be able to:

- describe the general methods used to solve the many electron Schrodinger equations for a molecule;
- apply Huckel molecular orbital theory to solve electronic structure problems for aromatic molecules;
- understand the application of Frontier Molecular Orbital theory to descriptions of chemical reactivity;

Learning outcomes
Students will gain an appreciation of the principles of molecular orbital theory, and how it is successful in explaining the many facets of chemical bonding in chemical compounds despite their great diversity.

They will also be able to appreciate how the theory can be applied to explain chemical reactivity.

Skills outcomes
Essential skills: maths


Lecture 1: H atom
Lecture 2: Many electron atoms
Lecture 3: Why molecules exist
Lecture 4: Solution of Schrodinger equation for H2+
Lecture 5: Critique of LCAO model for H2+
Lecture 6: Application of LCAO-MO model to the interpretation of photoelectron spectra
Lecture 7: Group theory
Lecture 8: Walsh diagrams
Lecture 9: Ab-initio methods - Hartree-Fock
Lecture 10: Configuration interaction and post Hartree-Fock methods
Lecture 11: Density functional theory
Lecture 12: Huckel theory
Lecture 13: Applications of Huckel theory
Lecture 14: Aromaticity
Lecture 15: Huckel theory description of organic chemistry
Lecture 16: Charge controlled reactions
Lecture 17: Pertubation theory
Lecture 18: Orbitally controlled reactions and frontier molecular orbitals
Lecture 19: Woodward Hoffman

Teaching methods

Delivery typeNumberLength hoursStudent hours
Example Class151.0010.00
Private study hours70.00
Total Contact hours30.00
Total hours (100hr per 10 credits)100.00

Private study

70 hours - reading for lectures and examples classes; preparation for examination.

Opportunities for Formative Feedback

Progress monitored through participation in lectures and examples classes; preparation of assessed work

Methods of assessment

Assessment typeNotes% of formal assessment
In-course AssessmentAtomic Term symbols10.00
In-course AssessmentLCAO and PES10.00
In-course AssessmentHukel MO theory10.00
Total percentage (Assessment Coursework)30.00

Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated

Exam typeExam duration% of formal assessment
Standard exam (closed essays, MCQs etc)2 hr 00 mins70.00
Total percentage (Assessment Exams)70.00

Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated

Reading list

The reading list is available from the Library website

Last updated: 01/10/2019


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