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Author(s):   Nicovich, J. M.; Mazumder, S.; Laine, P. L.; Wine, P. H.; Tang, Y.; Bunkan, A. J. C.; Nielsen, C. J.
Title:   An experimental and theoretical study of the gas phase kinetics of atomic chlorine reactions with CH3NH2, (CH3)2NH, and (CH3)3N
Journal:   Phys. Chem. Chem. Phys.
Volume:   17
Page(s):   911 - 917
Year:   2015
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2015NIC/MAZ911-917

Reaction:   CH3NH2 + ·Cl → Other Products + HCl
Reaction order:   2
Temperature:   200 - 600 K
Rate expression:   4.2x10-10 [cm3/molecule s] e29.93 [J/mole]/RT
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 for wide ranges of temperatures and pressures using transition state theory, RRKM, and master equation. Abstraction of H from methyl groups is minor, the branching ratio of methyl/nitrogen site abstraction channels varies from 0.015 at 200 K to 0.054 at 600 K.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
200 4.28E-10
225 4.27E-10
250 4.26E-10
275 4.26E-10
300 4.25E-10
325 4.25E-10
350 4.24E-10
375 4.24E-10
400 4.24E-10
425 4.24E-10
450 4.23E-10
475 4.23E-10
500 4.23E-10
525 4.23E-10
550 4.23E-10
575 4.23E-10
600 4.23E-10