CY5016 : Kinetics and Reaction Dynamics

Course Objectives: The learners should be able to apply elementary laws of chemical kinetics and analyze reaction mechanisms and changes in transport properties of chemical reactions and collision processes

Learning Outcomes: At the end of the course, the learners should be able to:

Calculate the transport properties of gases, liquids, and solids

Solve problems on rate/rate constants/efficiency for (i) complex reactions (ii) unimolecular and bimolecular reactions, and (iii) electronically excited state dynamics

Plot equations and functions representing kinetic behavior of chemical systems in ground and electronically excited states

Course Contents:

Transport properties: Diffusion, Thermal conductivity, Viscosity, Effusion, Drift velocity, Nernst-Einstein equation, Stokes-Einstein equation Complex reactions-Chain reactions (free radical reaction, polymerization kinetics), Enzyme reaction, Inhibition kinetics

Temperature dependence of reaction rate: Linear and non-linear Arrhenius equation, Interpretation of Arrhenius parameters

Theories of reaction rates: Various theories of unimolecular reactions (Lindemann-Hinshelwood, RRK and RRKM theories), Potential energy surfaces for bimolecular reactions, Adiabatic and non-adiabatic curve crossing processes, Collision theory, Transition state theory, Activation/thermodynamic parameters, Erying equation

Kinetics in the excited state: Jablonski diagram, Kinetics of Unimolecular and bimolecular photophysical and photochemical processes, Quantum yield calculation, Excited state lifetime-quenching constant, Resonance energy transfer rates (RET), Rate and efficiency of RET, Dynamics of electron transfer, Solvent re-organization energy, Marcus theory of electron transfer, Free energy and rate relation, Rehm-Weller behaviour, Marcus Inverted Region

Text Books:

1. P. Atkins and J. Paula, Physical Chemistry, 10th edition, Oxford University Press, Oxford 2014
2. J. Silbey, R. A. Alberty, M. G. Bawendi, Physical Chemistry, 4th edition, Wiley-India, New Delhi 2005
3. S. Berry, S. A. Rice and J. Ross, Physical Chemistry, 2nd edition, Oxford University Press, Oxford 2007
4. J. Laidler, Chemical Kinetics, 3rd edition, Harper & Row, New York 1998
5. K. Rohatgi – Mukherjee, Fundamentals of Photochemistry, New Age International Pvt. Ltd.; 3rd edition, New Delhi 2014.
6. I. Steindeld, J. S. Francisco, W. L. Hase, Chemical Kinetics and Dynamics, 2nd edition, Prentice Hall International Inc., New York 1989