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Estimation of the R‐H bond energy from the activation energy for the reaction RH + O 2 → R· + HO 2 ·
Author(s) -
Denisov E. T.,
Denisova L. N.
Publication year - 1976
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.550080113
Subject(s) - chemistry , activation energy , toluene , cyclohexane , heptane , phenols , medicinal chemistry , bond energy , organic chemistry , molecule
Since the activation energy for the reaction RH + O 2 → R· + HO 2 . is very close to its endothermicity, the R‐H bond energy can be calculated from the activation energy for free radical formation by the reaction RH + O 2 . The relation between E i and Q R–H was found empirically after measuring E i by the method of inhibitors for the oxidation of cyclohexane, n heptane, and toluene:\documentclass{article}\pagestyle{empty}\begin{document}$${\rm Q}_{{\rm R} - {\rm H}} = E_i + 53{\rm kcal/mole}$$\end{document}The values of Q R–H are calculated from these and earlier experimental data for five hydrocarbons, five phenols, and four aromatic amines.