Thermochemical kinetics

S.W Benson, Thermochemical Kinetics, 2nd edition, Wiley, New York, 1976. 

Zhao, Y. Lynch, B. J. Truhlar, D. G. Development and assessment of a new hybrid density functional model for thermochemical kinetics. J. Phys. Chem. A 2004, 14, 2715-2719. 

Bond dissociation energies. See S. W. Benson, Thermochemical Kinetics John Wiley and Sons, New York (1968). 

At the end of section 3.1 we addressed a common circumstance in gas-phase thermochemical kinetics studies. For many reactions, there is not enough experimental information to determine A //°, and a negligible barrier for the product recombination reaction is often assumed. The same ideas can be applied for reactions in solution When D and E are radicals, it is frequently accepted that the reverse of reaction 3.33 is diffusion controlled and that A // , has a value of 8kJ mol-1. 

The concept of cage elfects in reaction kinetics is over 60 years old, but the attempts made to apply it to thermochemical kinetics are much more recent. Here, we will briefly address the model reported by Koenig, Hay, and Finke [61]. According to these authors, a better representation of reaction 3.33 is... 

Together with Cox and Pilcher [54] and Benson s Thermochemical Kinetics [47], this book is a classic work on thermochemistry. It is still useful to review basic concepts and, as a database, to look for //. — H values for many organic substances in the ideal gas state. See also [30]. 

By contrast, we do not use Benson group increments , a generally powerful thermochemical technique summarized in the volume by S. W. Benson himself, Thermochemical Kinetics, 2nd edition, Wiley, New York, 1976, and used in many thermochemical chapters throughout the Patai series. For the classes of compounds discussed in the current chapter, we believe the necessary number of parameters (included to reflect electrostatic interactions, proximity effects, steric repulsions and ring corrections) is excessive. 

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