Enthalpies of formation (Δ f H o) of 57 oxygen-containing heterocyclic radicals have been determined from literature values of the dissociation energies of C–H chemical bonds in appropriate molecules. Within the framework of a quantitative structure–property correlation based on the additive-group model, an analysis has been carried out of the obtained Δ f H o values, the reliability of these data has been shown, and a set of values has been determined of the cyclic stress of the radicals being considered. The parameters of the additive-group method are recommended for the calculation of Δ f H o for radicals of the considered class.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 42–51, January, 2011.
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Orlov, Y.D., Chernova, E.M. & Turovtsev, V.V. Formation enthalpies of organic oxygen-containing heterocyclic radicals. Chem Heterocycl Comp 47, 29–35 (2011). https://doi.org/10.1007/s10593-011-0716-1
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DOI: https://doi.org/10.1007/s10593-011-0716-1