# 2019/20 Undergraduate Module Catalogue

## CHEM3131 Chemical Bonding and Reactivity

### 10 creditsClass Size: 120

**Module manager:** Dr Julia Lehman**Email:** J.Lehman@leeds.ac.uk

**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**

### 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 work### Methods 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: 01/10/2019

## Browse Other Catalogues

- Undergraduate module catalogue
- Taught Postgraduate module catalogue
- Undergraduate programme catalogue
- Taught Postgraduate programme catalogue

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