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Accessibility information
Author(s):   Nam, G.-J.; Xia, W.; Park, J.; Lin, M.C.
Title:   The Reaction of C5H5 with CO: Kinetic Measurement and Theoretical Correlation with the Reverse Process
Journal:   J. Phys. Chem. A
Volume:   104
Page(s):   1233 - 1239
Year:   2000
Reference type:   Journal article
Squib:   2000NAM/XIA1233-1239

Reaction:   CO + Phenyl → benzoyl
Reaction order:   2
Temperature:   295 - 500 K
Pressure:  1.60E-2 - 0.16 bar
Rate expression:   1.41x10-12 [±4.65x10-13 cm3/molecule s] e-12530 [±910 J/mole]/RT
Bath gas:   Ar
Category:  Experiment
Data type:   Absolute value measured directly
Pressure dependence:   Rate constant is high pressure limit
Experimental procedure:   Other
Excitation technique:   Flash photolysis (laser or conventional)
Time resolution:   In real time
Analytical technique:   Vis-UV absorption
Comments:   The cavity ring-down spectroscopic technique has been used. Phenyl radicals are produced from 248 nm photolysis of C6H5NO. The time profile of phenyl radicals is directly probed at 504.8 nm.Experimental results are compared with the results of RRKM theory using the transition state parameters computed by the MP2 method with the 6-31G(d,p) basis set.A heat of formation of 32?.5 kcal/mol has been derived for C6H5CO.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
295 8.54E-15
300 9.30E-15
325 1.37E-14
350 1.91E-14
375 2.54E-14
400 3.27E-14
425 4.08E-14
450 4.96E-14
475 5.92E-14
500 6.94E-14