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- Title
Formation enthalpies of organic oxygen-containing heterocyclic radicals.
- Authors
Orlov, Yu. D.; Chernova, E. M.; Turovtsev, V. V.
- Abstract
Enthalpies of formation (Δ H) 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 H 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 H for radicals of the considered class.
- Subjects
RADICALS (Chemistry); ENTHALPY; CHEMICAL bonds; FUNCTIONAL groups; ORGANIC chemistry; OXYGEN
- Publication
Chemistry of Heterocyclic Compounds, 2011, Vol 47, Issue 1, p29
- ISSN
0009-3122
- Publication type
Article
- DOI
10.1007/s10593-011-0716-1