CH814 (Old Title): Fundamentals of Molecular Energetics and Dynamics has been renamed as CH 848 (Revised Title): Advanced Molecular Energetics

CH 848

Advanced Molecular Energetics
 
 
 

CH 848

Advanced Molecular Energetics
Syllabus: 

Statistical mechanical interpretation of the thermodynamic laws, Statistical view of entropy; Deducing 2nd and 3rd laws of thermodynamics from statistical considerations; Free energies, chemical potentials, partial molar quantities; Boltzmann distribution, partition functions and statistical mechanics of simple gases and solids; Chemical equilibrium and equilibrium constant in terms of partition functions; Qualitative correlations between reaction rate and equilibria. Structural effects on rate and equilibria in organic systems; substituents and solvent effects. The Hammett and Taft equations; conformational equilibria in acyclic compounds. Structural effects on rate and equilibria in inorganic systems: Linear free energy relationship in ligand substitution kinetics; physical kinetics; transition states; Elements of absolute rate theory, reaction dynamics, ions in solution; cooperativity.

Text References: 

1. K. A. Dill and S. Bromberg Molecular Driving Forces: Statistical Thermodynamics in Chemistry and Biology, Garland Science, New York and London, 2003.

2. R. M. Hanson, and S. Green, Introduction to Molecular Thermodynamics, University Science Books, Sansalito, California, 2008.

3. J. E. Lefler and E. Grunwald, Rates and Equilibria of Organic Reactions, Wiley, l963.   

4. J. Hine, Structural Effects on Equilibria in Organic Chemistry, 2nd Edition, McGraw-Hill, 1962. 

5. F. Basolo and R. G. Pearson, Mechanism of Inorganic Reactions, Interscience-Wiley, 2nd Edition, Wiley, l967.