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Estimation of dissociation energies of C—H bonds in oxygen-containing compounds from kinetic data for radical abstraction reactions

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Abstract

The C—H bond dissociation energies were calculated on the basis of the parabolic model from the rate constants of free radical reactions for more than 160 oxygen-containing compounds. The enthalpies of formation of free radicals formed from these compounds were calculated. The method was modified taking into account the influence of functional groups on the partial rate constant and for the case when the reference reaction in the reaction series belongs to another class of structurally similar reactions.

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Authors and Affiliations

  1. Russian Academy of Sciences, Institute of Problems of Chemical Physics, 142432, Chernogolovka, Moscow Region, Russian Federation

    V. E. Tumanov, E. A. Kromkin & E. T. Denisov

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  1. V. E. Tumanov
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  2. E. A. Kromkin
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  3. E. T. Denisov
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Tumanov, V.E., Kromkin, E.A. & Denisov, E.T. Estimation of dissociation energies of C—H bonds in oxygen-containing compounds from kinetic data for radical abstraction reactions. Russian Chemical Bulletin 51, 1641–1650 (2002). https://doi.org/10.1023/A:1021335001753

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