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SEMESTER I Paper I Molecular Symmetry and Molecular Vibrations Molecular Symmetry: Symmetry elements and symmetry operations with special reference to water, ammonia and ethane. Classification of molecules/ ions based on their symmetry properties. Derivation of matrices for rotation, reflection, rotation-reflection and inversion operations. Direct products. Symmetry point groups applied to all type of molecules (Cnh, Dnh, Cnv, Td, Oh and Ih). Group multiplication basis, matrix representation, character of an operation, orthogonality, projection and shift operators, character tables, reducible and irreducible representations, groups subgroups, and classes. Symmetry of orbital: orbital symmetry properties, projection to get symmetry orbitals, projection operators, basis functions and hybrid orbitals with example. Molecular Vibrations: Internal and symmetry coordinates, symmetry adapted linear combinations (SALCs), symmetry of normal vibrations, mixing of internal coordinates in normal modes, determination of symmetry types of the normal modes. Polyatomic molecular vibrations, vibrational spectroscopy, selection rules for IR and Raman spectroscopy, depolarization effects, analysis of vibration spectra of 1,2 – dichloroethylene. Normal coordinate analysis of water and ammonia molecules. Symmetry and Chemical reactivity Symmetry control of Chemical reactions. Symmetry considerations: electro cyclic and cycloaddition reactions. Books Recommended: DM Bishop, “Group theory and Chemistry” Dover Publications. 2. Cotton, “Chemical Applications of Group Theory”, John Wiley. 3. M. Hamaresh, “Group theory and its Applications to Physical Problems” Addison- Wisley 4. R.L. Flurry, “Symmetry Groups” 5. Hanna “Quantum Mechanics in Chemistry”. 6. McWeeny, “Symmetry - An Introduction to Group Theory”, Pergamon Press. 7. Lowell H. Hall “Group Theory and Symmetry in Chemistry”, McGraw Hill Book Company, New York. Paper II Physical Chemistry (Quantum Chemistry) Fundamentals L