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Theoretical Pre-Exponential Rate Factors for Abstraction Reactions

Authors: Oktay Sinanoglu; Kenneth S. Pitzer;

Theoretical Pre-Exponential Rate Factors for Abstraction Reactions

Abstract

Equations have been derived for the pre-exponential rate factors of abstraction reactions. The activated complex is considered as made up of three rigid groups. Classical partition functions are used and it is shown that the use of classical methods gives a simple expression which requires only a knowledge of several force-constants and bond lengths; thus the need for detailed structural information on reactants and complex and for calculations of moments of inertia and vibrational frequencies is eliminated. It is shown that quantum corrections need not be considered in many cases, although if desired, they may be estimated from a graph provided. The method is applied to four hydrogen abstraction reactions and to the reaction, CCl3Br+Br=CCl3+Br2. Satisfactory agreement is obtained.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
9
Average
Top 10%
Top 10%
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