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Title: Theoretical Study of the Thermal Decomposition of Dimethyl Disulfide
Journal: J. Phys. Chem. A
Volume: 114
Page(s): 10531 - 10549
Year: 2010
Reference type: Journal article
Squib: 2010VAN/REY10531-10549
Reaction:
(CH3S)2 → ·CH3 + CH3SS
Reaction order:
1
Temperature:
600 - 600
K
Rate expression:
3.98x1016 [s-1] e-244700 [J/mole]/RT
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is high pressure limit
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory.
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Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [s-1] |
|---|---|
| 600 | 1.98E-5 |
| 600 | 1.98E-5 |