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Author(s):   Brudnik, K.;Jodkowski, J.T.;Nowek, A.;Leszczynski, J.
Title:   Kinetics of the formation reactions of trichloro- and tribromomethyl hypohalites and alcohols in the gas-phase: Theoretical study
Journal:   Chem. Phys. Lett.
Volume:   435
Page(s):   194 - 200
Year:   2007
Reference type:   Journal article
Squib:   2007BRU/JOD194-200

Reaction:   CBr3OF → CBr3O(·) + ·F
Reaction order:   1
Temperature:   200 - 400 K
Rate expression:   4.0x1015 [±1.4x1015 s-1] (T/298 K)-0.03 e-158474 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   None reported
Comments:   Ab initio study, using the statistical adiabatic channel model. G2MP2/6-31G(d) energies.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 1.66E-26
225 6.55E-22
250 3.12E-18
275 3.18E-15
300 1.02E-12
325 1.35E-10
350 8.90E-9
375 3.35E-7
400 8.02E-6