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Title: Competition between hydrogen abstraction and halogen displacement in the reaction of Br with CH3I, CH3Br, and CH3Cl
Journal: J. Phys. Chem. A
Volume: 111
Page(s): 6852 - 6859
Year: 2007
Reference type: Journal article
Squib: 2007IRI/FRA6852-6859
Reaction:
CH3I + Br· → HBr + ·CH2I
Reaction order:
2
Temperature:
298
K
Rate expression:
4.1x10-22 [cm3/molecule s]
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 with tunneling correction.
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