Kinetics of Reactions of H Atoms With Ethane and Chlorinated Ethanes

The reactions of H atoms with ethane and three chlorinated ethanes (C2H5Cl, 1,2-C2H4Cl2, and CH3CCl3) have been studied experimentally using the Discharge Flow/Resonance Fluorescence technique over wide ranges of temperatures. The rate constants were obtained in direct experiments as functions of te...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2001-07, Vol.105 (28), p.6900-6909
Main Authors: Bryukov, Mikhail G, Slagle, Irene R, Knyazev, Vadim D
Format: Article
Language:English
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Summary:The reactions of H atoms with ethane and three chlorinated ethanes (C2H5Cl, 1,2-C2H4Cl2, and CH3CCl3) have been studied experimentally using the Discharge Flow/Resonance Fluorescence technique over wide ranges of temperatures. The rate constants were obtained in direct experiments as functions of temperature. Literature data on the reactions of H atoms with ethane and chloroethane are analyzed and compared with the results of the current investigation. A transition-state-theory model of the reaction of H atoms with ethane was created on the basis of ab initio calculations and analysis of the experimental data and was used to extrapolate the latter to temperatures outside of the experimental ranges.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp0106505