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Kinetics of oxidation of benzyl alcohols with molecular oxygen catalyzed by N ‐hydroxyphthalimide: Role of hydroperoxyl radicals
Author(s) -
Opeida I. A.,
Sheparovych R. B.,
Hrynda Yu. M.,
Khavunko O. Yu.,
Kompanets M. O.,
Shendryk A. N.
Publication year - 2019
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.21287
Subject(s) - chemistry , benzyl alcohol , cumene , hydroperoxyl , radical , kinetics , cumene hydroperoxide , photochemistry , alcohol oxidation , catalysis , oxygen , molecular oxygen , alcohol , medicinal chemistry , organic chemistry , physics , quantum mechanics
A kinetic study of the initiated oxidation of benzyl alcohol and cumene by molecular oxygen was performed. The oxidation rate was more enhanced with N‐ hydroxyphthalimide (NHPI) in the case of cumene than that of benzyl alcohol. HOOH inhibits cumene oxidation and does not affect the rate of oxidation of benzyl alcohol. It was shown that termination chain reactions of phthalimid‐ N‐ oxyl radicals (PINO • ) does not occur with RОО • and proceeds with HOO • . A kinetic scheme of the process and an equation describing the kinetics of oxidation of benzyl alcohol in the presence of NHPI are proposed. Using the PM7 method, the thermodynamic characteristics of elementary steps of oxidation explaining the obtained results were calculated.