Course Objectives :
The course aims to give the knowledge of principles of quantum mechanics so that the students will be able to apply quantum mechanical principles to solve simple systems. To make students aware of symmetry and group theory so that they will be able to use group theory as a tool to understand bonding.
Course Outcomes (Cos):
COURSE 
Learning outcomes (at course level) 
Learning and teaching strategies 
Assessment Strategies 


Paper Code 
Paper Title 

CHY 123 
Quantum Chemistry and Group Theory 
The students will be able to
CO10reproduce the concepts of quantum mechanics and solve simple systems using Schrodinger wave equation. CO11calculate physical properties for simple systems. CO12interpret and apply approximate methods for evaluating wavefunction. CO13describe quantum mechanical approach of angular momentum, spin and rules for quantization and evaluate expressions for it. CO14discuss bonding in diatomic, triatomic and systems containing double bonds using molecular Orbital theory. CO15recognize symmetry elements, symmetry operations, point group in a molecule and construct character table for different point groups. CO16reproduce the concept of symmetry adapted linear combinations and apply it for understanding bonding in simple (σ and π) as well as conjugated systems. 
Interactive lectures
Discussion
Tutorials
Reading assignments
Demonstration
Interactive quiz

Assignments
Written test
Tutorials
Google quiz
Semester end examination 
Schrodinger equation, postulates of quantum mechanics, operators, Hamiltonian and Hermitian operator, discussion of solutions of the Schrodinger equation of some model systems: particle in a box and its extension to 3D box, quantization of energy levels, degeneracy, zero point energy and justification for Heisenberg uncertainty principle, simple harmonic oscillator and its solution using series solution or factorization method, calculation of various average values using ladder operator and recursion relation of Hermite polynomial, rigid rotor, hydrogen atom, radial distribution function of 1s, 2s, 2p, 3s, 3p and 3d orbitals and polar plots, node, nodal plane and nodal sphere.
The variation theorem, linear variation principle, perturbation theory (first order and non – degenerate), application of variation method and perturbation theory to helium atom. Ordinary and generalized angular momentum, eigen functions and eigen values for angular momentum operator using ladder operators, spin, antisymmetry and Pauli’s exclusion principle.
Extension of MO theory to homonuclear and heteronuclear diatomic molecules, qualitative MO theory and its applications to AH_{2 }type molecule, Huckel theory of conjugate systems, bond order and charge density calculations. Applications to ethylene, butadiene, cyclobutadiene, benzene, allyl system and cyclopropenylsystem. Introduction to extended Huckel theory.
Symmetry elements and symmetry operations, definition of group and subgroup, conjugacy relation and classes, product of symmetry operations, relation between symmetry elements and symmetry operations, orders of a finite group and its subgroup, point group symmetry, schonfiles symbols, representations of groups by reducible and irreducible representations and relation between them (representation for the C_{n}, C_{nv}, D_{nh} etc. groups to be worked out explicitly), character of a representation, the great orthogonality theorem (without proof) and its importance, character tables of C_{2v} and C_{3v} and their use.
Formation of hybrid orbitals: sigma bonding in linear structure (BeCl_{2}), trigonal planar (BF_{3}), tetrahedral (CH_{4}), square pyramid (BrF_{5}) and square planar (XeF_{4}), octahedral and square planar complexes, π bonding in complex compounds: square planar molecule and tetrahedral molecule.
Molecules with delocalized π orbitals, cyclopropenyl system, cyclobutenyl system, cyclopentadienyl system and benzene.