Formation enthalpies of organic oxygen-containing heterocyclic radicals

被引：0

作者：

Yu. D. Orlov

E. M. Chernova

V. V. Turovtsev

机构：

[1] Tver State University,

来源：

Chemistry of Heterocyclic Compounds | 2011年 / 47卷

关键词：

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

D O I：

暂无

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学科分类号：

摘要：

Enthalpies of formation (ΔfHo) 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 ΔfHo 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 ΔfHo for radicals of the considered class.

引用

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