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Author(s):   Gomez, N.; Henon, E.; Bohr, F.; Devolder, P.
Title:   Rate Constants for the Reactions of CH3O with Cyclohexane, Cyclohexene, and 1,4-Cyclohexadiene: Variable Temperature Experiments and Theoretical Comparison of Addition and H-Abstraction Channels
Journal:   J. Phys. Chem. A
Volume:   105
Page(s):   11204 - 11211
Year:   2001
Reference type:   Journal article
Squib:   2001GOM/HEN11204-11211

Reaction:   Cyclohexene + CH3 → Products
Reaction order:   2
Temperature:   300 - 503 K
Pressure:  1.33E-3 - 9.33E-3 bar
Rate expression:   3.1x10-12 [±8.0x10-13 cm3/molecule s] e-15300 [±800 J/mole]/RT
Bath gas:   He
Category:  Experiment
Data type:   Absolute value measured directly
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Electron beam
Time resolution:   In real time
Analytical technique:   Laser induced fluorescence
Comments:   ab initio computations using PMP2, HF-DFT (B3LYP) and CASPT2 methods, have been perormed to study the mechanism of the titled reactions.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 6.72E-15
325 1.08E-14
350 1.61E-14
375 2.29E-14
400 3.11E-14
425 4.08E-14
450 5.19E-14
475 6.44E-14
500 7.82E-14
503 7.99E-14