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Hydrogen abstraction by hydrocarbon radicals. I. Interactions between 1‐phenyl ethyl radicals and 1‐phenyl ethanol as well as benzyl alcohol
Author(s) -
Gedra Á.,
Lukács J.,
Vidóczy T.,
Sümegi L.,
Gál D.
Publication year - 1986
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.550180104
Subject(s) - chemistry , radical , ethylbenzene , hydrogen atom abstraction , acetophenone , benzyl alcohol , photochemistry , hydrogen , reaction rate constant , alcohol , hydrocarbon , decomposition , medicinal chemistry , thermal decomposition , organic chemistry , benzene , catalysis , kinetics , physics , quantum mechanics
Abstract Hydrogen abstraction by 1‐phenylethyl radicals (ṘH) from phenylmethyl‐carbinol (HROH) and benzyl alcohol (H 2 R′OH) has been studied in the liquid phase at 120°C. 1‐Phenylethyl radicals have been generated by thermal decomposition of azo ‐ bis ‐1‐phenyl ethane and the formation of ethylbenzene (RH 2 ), acetophenone (RO), and 2,3‐ di ‐phenyl butane (R 2 H 2 ) has been monitored during the reaction. In order to optimize the experimental conditions, a mechanism has been assumed for the various pathways of the disappearance of ṘH and by using estimated rate parameters a presimulation was performed. The relative rate constants obtained are:\documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{*{20}c} {\frac{{k_{\rm H} }}{{\sqrt {{\rm 2}k_t } }} = 1.4{\rm } \times {\rm }10^{ - 4} {\rm L}^{1/2} {\rm mol}^{ - 1/2} {\rm s}^{ - 1/2} } & {{\rm for}} & {{\rm HROH}} \\ \end{array} $$\end{document} and\documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{*{20}c} {\frac{{k_{\rm H} }}{{\sqrt {{\rm 2}k_t } }} = 1.0{\rm } \times {\rm }10^{ - 4} {\rm L}^{1/2} {\rm mol}^{ - 1/2} {\rm s}^{ - 1/2} } & {{\rm for}} & {{\rm H}_{\rm 2} {\rm R'OH}} \\ \end{array} $$\end{document} where k H refers to the hydrogen abstraction while k t is the combination rate coefficient of the radicals ṘH.