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Predicting gas phase organic molecule reaction rates using linear free-energy correlations. I. O(3P) and OH addition and abstraction reactions

✍ Scribed by J. S. Gaffney; S. Z. Levine

Book ID
102929861
Publisher
John Wiley and Sons
Year
1979
Tongue
English
Weight
524 KB
Volume
11
Category
Article
ISSN
0538-8066

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✦ Synopsis

Abstract

Linear free‐energy (LFE) correlations for gas phase O(^3^P) and OH addition and abstraction reactions with a number of organic compounds have been established using existing room‐temperature rate constants evaluated from the literature. Addition reaction rate constant correlations with ionization potential and abstraction reaction rate constant correlations with bond dissociation energies are examined and compared to the LFE approach. Using multiple regression analysis, empirical linear equations are derived and used to predict rate constants for reactions of O(^3^P) and OH with a number of organic molecules. The use of LFE room‐temperature rate predictions permits chemical modeling efforts to be extended to compounds where experimental determinations of rate coefficients are lacking and also serves as a useful tool in evaluation of experimental rate measurements.

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