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Title: Variational transition-state theory study of the dimethyl sulfoxide (DMSO) and OH reaction
Journal: J. Phys. Chem. A
Volume: 110
Page(s): 798 - 808
Year: 2006
Reference type: Journal article
Squib: 2006GON/GON798-808
Reaction:
(CH3)2SO + ·OH → CH3OH + CH3S(O)
Reaction order:
2
Reference reaction:
(CH3)2SO + ·OH → Products
Reference reaction order:
2
Temperature:
298
K
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is low pressure limit
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using variational transition state theory with tunneling correction. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expression is given for the k(T) dependence. Instead, rate constants for individual temperatures are presented in a tabular format.
This reaction channel producing CH3SO and methanol is unimportant under all conditions.
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