Premium
Mechanism of the pyrolysis of C 2 HCl 5 , molecular and radical steps
Author(s) -
Benson Sidney W.,
Weissman Maia
Publication year - 1982
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.550141202
Subject(s) - chemistry , thermochemistry , pyrolysis , kinetic energy , mechanism (biology) , reaction mechanism , computational chemistry , organic chemistry , catalysis , epistemology , philosophy , physics , quantum mechanics
An analysis of the thermochemistry of the kinetic parameters of the elementary reactions involved in the pyrolysis of pentachloroethane has resolved several disputed, unclarified, or inconsistent aspects of the reaction mechanism. The resulting mechanisms for the inhibited and uninhibited pyrolysis account for all reported experimental findings. On the basis of this interpretation, first experimentally based values have been derived for the following: DH 0 (CCl 3 –CHCl 2 ) = 79.0 ± 1.0 kcal/mol, Δ H f 0 (CHCl 2 ) = 25.7 ± 1.0 kcal/mol, and E 1 = 59.7 ± 1.0 kcal/mol C 2 HCl 5.