07th Subject: Group Theory & Quantum Chemistry Session: Odd 2023– 24 Name of the Faculty Member: Dr. Aruna Kumar Barick Designation: Assistant Professor
Perio Modul Topics to be Covered Remark
d e s 1 I Symmetry Elements and Symmetry Operations 2 I Matrix Representation of Symmetry Operation, Classes of Operations, 3 I Point Groups (Cn, Cnv, Cnh, Sn, Dn, Dnd, Dnh, Td, Oh, Da, Cv and Dh) 4 I Properties of Point Groups, Irreducible and Reducible Representation 5 I Bases of Representation 6 I Character of a Representation, Reduction Formula 7 II The Great Orthogonality Theorem (Without Proof) and its explanation 8 II Construction of Character Tables for C2v, C3v 9 II Construction of Character Tables for T (Cubic), C4 (Cyclic) and D Groups, 10 II Projection Operator 11 II Direct Product 12 II Normal Mode of Analysis 13 III Postulates of Quantum Mechanics, Quantum Mechanical Operators, 14 III Application of Schrodinger Wave Equation to Particle in a Box and Harmonic Oscillator 15 III Application of Schrodinger Wave Equation to Rigid Rotator 16 III Application of Schrodinger Wave Equation to Hydrogen Atom, Transformation of Co-ordinates, Separations of Variables, , , and R Equations 17 III Spherical Harmonics, Shapes of s, p and d Orbital, Probability Density in 1s Orbital 18 III Physical Interpretation of Hydrogen Orbitals, Radial Distribution Function and Curves 19 IV Angular Momentum: Definition, Generalized Angular Momentum 20 IV Eigen Functions and Eigen Values of Angular Momentum 21 IV Operator using Ladder Operators 22 IV Addition of Angular Moments 23 IV Mutual Interaction of Electron Orbitals and Resultant Vectors, Russel-Saunder’s Coupling, j-j Coupling 24 IV Ground State Term Symbols and Hund’s Rule, Micro States and Derivation of Russel-Saunder’s Term for P2, d2 and p1d1 Configuration 25 V Approximation Methods: Variation Theorem and its Application to Hydrogen atom in Derivation of its Ground State Energy 26 V Perturbation Theory (First Order and Non-degenerate) 27 V Secular Equations, Linear Combination of Atomic Orbitals (LCAO) Approximation (Molecular Orbital Theory) 28 V Application of LCAO to Hydrogen Molecule Ion 29 V Hückel Theory of Conjugated Systems, Bond Order, and Charge Density Calculations, Applications to Ethylene and Butadiene 30 V Applications to Cyclopropenyl Radical, Cyclobutadiene, etc., Spin and Anti-symmetric Nature of Wave Function (Pauli’s Exclusion Principle)
Signature of the Faculty Member Counter Signature of the Head,
Place: VSSUT Burla Department of Chemistry and Dean, Date: 12th August, 2023 School of Humanities and Basic Sciences Assessment Criteria: Total: 100 Marks (Mid Semester: 30; End Semester: 50; Quiz/MCQ Test (02 Nos): 10; Assignments: 05; Attendance & Discipline in Classes: 05