TRIMERIC MECHANISM OF PROTON TRANSFER IN IMIDAZOLE

Authors

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

Keywords:

imidazole, trimer, quantum-chemical calculation, tautomerism

Abstract

The energy, electronic, and structural characteristics of the tautomeric transformation of imidazole were calculated by the quantum-chemical semiempirical AM1 method. It was concluded on the basis of the calculated data that proton transfer in the tautomeric transformation 1H-imidazole  and  3H-imidazole can take place by a trimeric mechanism.

How to Cite
Kikalishvili, T. J.; Kereselidze, J. A. Chem. Heterocycl. Compd. 2002, 38, 1069. [Khim. Geterotsikl. Soedin. 2002, 1225.]

For this article in the English edition, see DOI https://doi.org/10.1023/A:1021249030249

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Published

2002-09-25

Issue

No. 9 (2002)

Section

Original Papers