Course Details
Subject {L-T-P / C} : CY4303 : Chemical Applications of Group Theory { 3-0-0 / 3}
Subject Nature : Theory
Coordinator : Prof. Braja Gopal Mishra
Syllabus
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, Representation of groups: Matrices, vectors, great orthogonality theorem, character table, Group theory and quantum mechanics: Irreducible representation, direct product, nonzero matrix elements, Symmetry Adapted Linear Combination: Projection operators, their derivation and construction, 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, Ligand field theory, construction of energy level diagrams, molecular vibrations: symmetry of normal vibrations, selection rules of fundamental vibrations, application in Raman spectroscopy,
Course Objectives
- This course aims to develop the conceptual background to understand how symmetry properties of molecules dictate chemical bonding as well as the way molecules interact with electromagnetic radiation i.e. molecular spectroscopy.
- The course relates quantum mechanical postulates with electronic structure of molecules by providing a mathematical interpretation in terms of group theory
- This course aims to illustrates how molecular orbital energy level calculation can be simplified by using principles group theory
- This course aims 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 Outcomes
After completing this course, the students will be able to identify the symmetry elements and point group of molecules. They will be able to perform vibration analysis of simple molecules. They will be able to predict with the help of character table whether a particular mode of vibration will be active in IR and Raman spectroscopy. The students will also develop a sound understanding about the hybridization scheme for metal complexes and calculation pi molecular energy levels of cyclic conjugated polyenes. The students will be able to use the knowledge gained in the course to set up secular determinants for inorganic compounds with different molecular structures towards calculation of molecular energy levels. They will be able to interpret the electronic spectra of inorganic complexes with the help of correlation diagrams.
Essential Reading
- F. A. Cotton, Chemical Applications of Group Theory, Wiley Eastern
- M. S. Gopinathan and V. Ramakrishnan, Group Theory in Chemistry, Vishal Publishers
Supplementary Reading
- A. Streitweiser, Molecular Orbital for Organic Chemistry, John Wiley & Sons
- David M. Bishop, Group theory and Chemistry, Dover