ISSN:
0538-8066
Keywords:
Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Linear free-energy (LFE) correlations for gas phase O(3P) 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(3P) 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.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/kin.550111106
