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Title: Pressure and Temperature Dependence of the Reaction of Vinyl Radical with Alkenes III: Measured Rates and Predicted Product Distributions for Vinyl plus Butene
Journal: J. Phys. Chem. A
Volume: 113
Page(s): 13357 - 13371
Year: 2009
Reference type: Journal article
Squib: 2009GOL/ISM13357-13371
Reaction:
CH3CH=CHCH3 + C2H3 → C2H4 + CH2=CHCH(·)CH3
Reaction order:
2
Temperature:
400 - 2000
K
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated for wide ranges of temperatures and pressures using transition state theory, RRKM, and master equation. Rate constants for individual temperatures and pressures are presented in graphic format and in tabular format in the Supporting Information supplement.
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