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Does CH 3 addition to C 6 H 6 occur as reported?
Author(s) -
Park J.,
Lin M. C.
Publication year - 2001
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.10003
Subject(s) - chemistry , kinetics , radical , adduct , benzene , alkyl , photodissociation , medicinal chemistry , photochemistry , organic chemistry , physics , quantum mechanics
The kinetics for the CH 3 + C 6 H 6 reaction has been investigated by modeling the existing data obtained by Holt and Kerr [Int J Chem Kinet 1977, 9, 185.]. The result of the modeling suggests that the yields of CH 4 measured in the UV photolysis of mixtures of (CH 3 CO) 2 , i ‐C 4 H 10 , and C 6 H 6 and employed in their analysis of the CH 3 + C 6 H 6 kinetics could be quantitatively predicted by the reactions of CH 3 with i ‐C 4 H 10 and alkyl radicals present in the system, independent of the CH 3 + C 6 H 6 reaction . The CH 3 + C 6 H 6 reaction was concluded to be insignificant under the conditions employed on account of the instability of the C 7 H 9 radical adduct and the strong CH bonds in benzene, which prevent the occurrence of the simple abstraction process. © 2001 John Wiley & Sons, Inc. Int J Chem Kinet 33: 803–807, 2001