COMPARATIVE CHARACTERISTICS OF SOME PHYSICOCHEMICAL PROPERTIES OF AZOLES

Authors

  • Т. Дж. Кикалишвили I. Javakhishvili Tbilisi State University, Tbilisi 380028
  • Дж. А. Кереселидзе I. Javakhishvili Tbilisi State University, Tbilisi 380028

Keywords:

azoles, dipole moment, quantum-chemical calculations, correlation analysis, ionization potential, enthalpy

Abstract

We have carried out a correlation analysis of some physicochemical characteristics of pyrrole, pyrazole, imidazole, triazole, and tetrazole, calculated by the semiempirical quantum-chemical AM1 method. We have found the linear dependences of the ionization potential, the dipole moment, and the acidity on the π-electron excess, and also the dependence of the ionization potential on the enthalpy of formation of the studied azoles.

How to Cite
Kikalishvili, T. J.; Kereselidze, J. A. Chem. Heterocycl. Compd. 2003, 39, 71. [Khim. Geterotsikl. Soedin. 2003, 75.]

For this article in the English edition, see DOI https://doi.org/10.1023/A:1023020725189

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Published

2003-01-25

Issue

No. 1 (2003)

Section

Original Papers