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Formation enthalpies of organic oxygen-containing heterocyclic radicals

  • Yu. D. Orlov
  • E. M. Chernova
  • V. V. Turovtsev
Article

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.

Keywords

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

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Copyright information

© Springer Science+Business Media, Inc. 2011

Authors and Affiliations

  • Yu. D. Orlov
    • 1
  • E. M. Chernova
    • 1
  • V. V. Turovtsev
    • 1
  1. 1.Tver State UniversityTverRussia

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