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Kinetics of the bromine catalyzed elimination of HCl from 1,1,1‐trichloroethane
Author(s) -
Rodgers A. S.,
Jerus Paul
Publication year - 1988
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550200706
Subject(s) - chemistry , bromine , kinetics , catalysis , dissociation (chemistry) , activation energy , kinetic energy , gas phase , medicinal chemistry , bond dissociation energy , organic chemistry , quantum mechanics , physics
Abstract The gas phase kinetics of the bromine catalyzed elimination of HCl from 1,1,1‐trichloroethane has been studied over a five fold variation of (CH 3 CCl 3 )/(Br 2 ) and from 565 to 634 K. The most important reactions in the mechanism are found to be:The preferred analysis of the kinetic data results in log( k 1 /M −1 s −1 ) = 11.3 ± 0.3 − (19.9 ± 1.0) × 10 3 /4.575 T. From these results one calculates the C—H bond dissociation energy in CH 3 CCl 3 to be 103.8 ± 2 kcal mol −1 , and the heat of formation of 2,2,2‐trichloroethyl to be 17.7 ± 2 kcal mol −1 .