FORMATION ENTHALPIES OF ORGANIC OXYGENCONTAINING HETEROCYCLIC RADICALS

Authors

  • Ю. Д. Орлов Tver State University
  • Е. М. Чернова Tver State University
  • В. В. Туровцев Tver State University

DOI:

https://doi.org/10.1007/2172

Keywords:

oxygen-containing heterocyclic radicals, structure–property relationship, methods of calculation, cyclic stress energy, enthalpy of formation

Abstract

Enthalpies of formation (ΔfH°) 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 ΔfH° 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 ΔfH° for radicals of the considered class.

How to Cite
Orlov, Yu. D.; Chernova, E. M.; Turovtsev, V. V. Chem. Heterocycl. Compd. 2011, 47(1), 29. [Khim. Geterotsikl. Soedin. 2011, 42.]

For this article in the English edition see DOI 10.1007/s10593-011-0716-1

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Published

2014-12-18

Issue

No. 1 (2011)

Section

Original Papers