NIST Chemical Kinetics Database

Author(s):   Madden, L.K.; Moskaleva, L.V.; Kristyan, S.; Lin, M.C.
Title:   Ab initio MO study of the unimolecular decomposition of the phenyl radical
Journal:   J. Phys. Chem. A
Volume:   101
Page(s):   6790 - 6797
Year:   1997
Reference type:   Journal article
Squib:   1997MAD/MOS6790-6797

Reaction:   Phenyl → Benzyne + H·
Reaction order:   1
Temperature:   700 - 2500 K
Pressure:  1.01 bar
Rate expression:   6.34x10²² [s^-1] (T/298 K)^-7.72 e^{-385792 [J/mole]/RT}
Bath gas:   Ar
Category: Experiment
Data type:   RRK(M) extrapolation

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
700	1.42E-9
800	2.00E-6
900	5.08E-4
1000	3.91E-2
1100	1.27E0
1200	2.18E1
1300	2.30E2
1400	1.66E3
1500	8.90E3
1600	3.74E4
1700	1.29E5
1800	3.78E5
1900	9.66E5
2000	2.21E6
2100	4.57E6
2200	8.71E6
2300	1.55E7
2400	2.58E7
2500	4.08E7