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Title: Theoretical Study of the Pyrolysis of Methyltrichlorosilane in the Gas Phase. 3. Reaction Rate Constant Calculations
Journal: J. Phys. Chem. A
Volume: 114
Page(s): 2384 - 2392
Year: 2010
Reference type: Journal article
Squib: 2010GE/GOR2384-2392
Reaction:
CH4 + SiCl3 → ·CH3 + SiHCl3
Reaction order:
2
Temperature:
1000 - 2000
K
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is pressure independent
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory. 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.
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