Laws of Photochemistry, Photo physical processes in electronically excited molecules, Photochemistry of environment.
Introduction and scope of computational chemistry. Different Computational Chemistry Methods, Potential energy surface - Coordinate Representations, Ab initio Methods, Semiempirical, DFT, Molecular Mechanics, Basis Sets, Model Chemistry
This course will introduce quantum mechanics and its applications to chemical systems. This will focus on interpretation of the physical significance of the wave functions and energy levels derived by solving the time-independent Schrödinger equation of some simple systems. Connections between the calculated and the experimentally measured results by molecular spectroscopy will also be considered here.
Semester one- Symmetry and Group Theory Common Theoretical Chemistry Course for MSc Chemistry and MSc Applied Chemistry
Transformation properties of atomic orbitals, hybridization schemes for sigma and pi bonding with examples, Hybrid orbitals as linear combinations of atomic orbitals. Ligand field theory-splitting of d orbitals in different environments using group theoretical considerations. M.O. diagrams, formation of symmetry adapted group of ligands,energy levels, construction of energy level diagrams, correlation diagrams, method of descending symmetry, d-d transition-selection rules, vanishing integrals. Selection rule for IR Transition, IR and Raman spectra of complexes with oxo anions as ligands.