Formation enthalpies of organic oxygen-containing heterocyclic radicals |
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Authors: | Yu. D. Orlov E. M. Chernova V. V. Turovtsev |
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Affiliation: | (1) Tver State University, 33 Zhelyabova, Tver, 170100, Russia |
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Abstract: | 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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