J. Park et al., FTIR AND MASS-SPECTROMETRIC MEASUREMENTS OF THE RATE-CONSTANT FOR THEC6H5-2 REACTION(H), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(47), 1997, pp. 8839-8843
The rate constant for the C6H5 + H-2 --> C6H6 + H reaction has been me
asured by pyrolysis/Fourier transform infrared spectrometry (P/FTIRS)
in the temperature range of 548-607 K and by pulsed-laser photolysis/
mass spectrometry (PLP/MS) in the temperature range of 701-1017 K. By
P/FTIRS, the reaction was studied by measuring time-resolved concentra
tion profiles of the reactant (C6H5NO) and the product (C6H6) using hi
ghly diluted mixtures of C6H5NO in H-2 (with or without Ar dilution).
In PLP/MS experiments, the C6H5 radical was generated by the photolysi
s of C6H5COCH3 at 193 nm in the presence of several Torr of H-2. The C
6H5 + H-2 rate constant was determined by the absolute yields of C6H6
and C6H5CH3 products. The results of these two spectrometric measureme
nts agree closely with our theoretically predicted expression, k = 5.7
2 x 10(4)T(2.43) exp (-3159/T) cm(3)/(mol.s) and with that of a shock-
tube study by Tree and co-workers (ref 20) in the temperature range of
1050-1450 K. Preliminary kinetic data on the CH3 + C6H5 association r
eaction are also presented.