Course Identification

Group Theory and Chemical Reactivity
20182291

Lecturers and Teaching Assistants

Dr. Graham De Ruiter
N/A

Course Schedule and Location

2018
First Semester
Thursday, 16:15 - 18:00, WSoS, Rm C

Tutorials
Thursday, 18:15 - 19:00, WSoS, Rm A
02/11/2017
14

Field of Study, Course Type and Credit Points

Chemical Sciences: Lecture; Elective; 2.00 points
Chemical Sciences (Materials Science Track): Lecture; Elective; 2.00 points

Comments

N/A

Prerequisites

A B.Sc. degree in chemistry is preferred but not necessary.

Restrictions

40

Language of Instruction

English

Attendance and participation

Expected and Recommended

Grade Type

Numerical (out of 100)

Grade Breakdown (in %)

20%
80%

Evaluation Type

Examination

Scheduled date 1

27/02/2018
WSoS, Rm B
1000-1300
N/A

Scheduled date 2

N/A
N/A
-
N/A

Estimated Weekly Independent Workload (in hours)

2

Syllabus

The course will provide a thorough introduction into symmetry and group theory, and provides an understanding on how the principles of group theory can be applied to spectroscopy, and to organic and inorganic chemistry.

In more detail: after discussing the basic principles of molecular orbital (MO) theory, the electronic structure of ethylene, butadiene, cyclopentadienyl, and benzene will be deduced and used to analyze their reactivity in organic (e.g. the Diels-Alder reaction) and organometallic chemistry. The MO diagrams of cyclopentadienyl and benzene will also be used to discuss the chemistry organometallic sandwich compounds (e.g. ferrocene) where we will use Walsh diagrams to demonstrate how perturbations in the 3D geometry of influences their energy levels and reactivity.

The following topics will be discussed in class:

  • Molecular symmetry & group theory
  • Electronic structure of small molecules
  • IR spectroscopy
  • Electronic structure of extended π-conjugated Systems
  • Symmetry in organic chemistry
  • Organometallic sandwich compounds
  • Walsh Diagrams 

Learning Outcomes

Upon successful completion of this course students should be able to:

1. Determine the symmetry of molecules

2. Deduce the vibrational modes of simple molecules

3. Derive a qualitative picture of the molecular orbitals of complex molecules

4. Understand how electronic structure is related to reactivity

5. Apply the concepts of symmetry to complex chemical transformations

Reading List

1. Inorganic Chemistry (4th Ed);                                                Housecroft

2. Inorganic Chemistry (5th Ed);                                                Miessler, Fischer, and Tarr

3. Symmetry and Spectroscopy (1st Ed);                                  Harris and Bertolucci

4. Chemical applications of Group Theory (3rd Ed);                  Cotton

Website

N/A