2017/18 Undergraduate Module Catalogue
CHEM3131 Chemical Bonding and Reactivity
10 creditsClass Size: 120
Module manager: Professor B J Whitaker
Email: b.j.whitaker@leeds.ac.uk
Taught: Semester 1 (Sep to Jan) View Timetable
Year running 2017/18
Pre-requisite qualifications
Level 2 in Chemistry or equivalentThis module is not approved as a discovery module
Objectives
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
Syllabus
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 type | Number | Length hours | Student hours |
Example Class | 15 | 1.00 | 10.00 |
Lecture | 15 | 1.00 | 20.00 |
Private study hours | 70.00 | ||
Total Contact hours | 30.00 | ||
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 workMethods of assessment
Coursework
Assessment type | Notes | % of formal assessment |
In-course Assessment | Atomic Term symbols | 10.00 |
In-course Assessment | LCAO and PES | 10.00 |
In-course Assessment | Hukel MO theory | 10.00 |
Total percentage (Assessment Coursework) | 30.00 |
Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated
Exams
Exam type | Exam duration | % of formal assessment |
Standard exam (closed essays, MCQs etc) | 2 hr 00 mins | 70.00 |
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 websiteLast updated: 08/09/2017
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- Undergraduate module catalogue
- Taught Postgraduate module catalogue
- Undergraduate programme catalogue
- Taught Postgraduate programme catalogue
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