The effect of substituents on the thermochemical properties of alternant radicals

Yu B. Vysotskii, V. S. Bryantsev

Research output: Contribution to journalArticlepeer-review

Abstract

The effect of substituents on the dissociation energy of the C-H bond in the molecules of mono- and disubstituted toluenes was analyzed in terms of perturbation theory. It was shown that the variation of the thermochemical characteristics in the alternant radicals is described in second-order perturbation theory by a quadratic dependence on the substituent constants.

Original languageEnglish
Pages (from-to)347-350
Number of pages4
JournalTheoretical and Experimental Chemistry
Volume38
Issue number6
DOIs
StatePublished - 2002
Externally publishedYes

Keywords

  • Alternant radicals
  • Quantum-chemical calculation
  • Substituted toluenes
  • Thermochemical relations

Fingerprint

Dive into the research topics of 'The effect of substituents on the thermochemical properties of alternant radicals'. Together they form a unique fingerprint.

Cite this