National Institute of Technology Rourkela

राष्ट्रीय प्रौद्योगिकी संस्थान राउरकेला

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Syllabus

Course Details

Subject {L-T-P / C} : CY4303 : Chemical Applications of Group Theory { 3-0-0 / 3}

Subject Nature : Theory

Coordinator : Braja Gopal Mishra

Syllabus

Module 1 :

Module 1. Definitions and theorems of group theory: Groups, subgroups, classes, Molecular symmetry and symmetry groups: Elements of symmetry, operations, proper axes and rotation, product of symmetry operations, equivalent symmetry, point groups,
Module 2. Representation of groups: Matrices, vectors, great orthogonality theorem, character table, Group theory and quantum mechanics: Irreducible representation, direct product, nonzero matrix elements,
Module 3. Symmetry Adapted Linear Combination: Projection operators, their derivation and construction,
Module 4. Application in molecular spectroscopy: General cases of LCAO-MO p bonding, electronic excitations, selection rules, symmetry based selection rules, Transformation properties of atomic orbitals, examples in ABn type molecules, Module 5. Ligand field theory, construction of energy level diagrams,
Module 6. molecular vibrations: symmetry of normal vibrations, selection rules of fundamental vibrations, application in Raman spectroscopy,

Course Objective

1 .

To develop the conceptual background to understand how symmetry of molecules dictate chemical bonding as well as the way molecules interact with electromagnetic radiation

2 .

To quantum mechanical postulates with electronic structure of molecules by providing a mathematical interpretation in terms of group theory

3 .

To illustrates how molecular energy level calculation can be simplified by using principles group theory

4 .

To provide a comprehensive details about construction of molecular energy level diagrams and correlation diagrams of inorganic compounds in general with particular focus on metal complexes

Course Outcome

1 .

1. To understand and comprehend various symmetry elements of molecules based on their geometric structure.
2. To classify the molecules into various groups based on their symmetry properties
3. To apply the basic concepts of group theory to interpret vibrational and electronic spectra of molecules
4. To utilize the concepts of group theory to simplify molecular energy level calculations.
5. To utilize the concept of symmetry to comprehend the energy level diagrams of inorganic compounds including metal complexes and to interpret their spectral and magnetic properties.

Essential Reading

1 .

F. A. Cotton, Chemical Applications of Group Theory, Wiley Eastern

2 .

M. S. Gopinathan and V. Ramakrishnan, Group Theory in Chemistry, Vishal Publishers

Supplementary Reading

1 .

A. Streitweiser, Molecular Orbital for Organic Chemistry, John Wiley & Sons

2 .

David M. Bishop, Group theory and Chemistry, Dover