QUANTUM-CHEMICAL INVESTIGATIONS OF PYRIMIDINONES-4. 1. TAUTOMERISM OF 2-OXOPYRIMIDINONES-4

Authors

  • М. Х. Мамарахмонов Acad. S. Yunusov Institute of Chemistry of Plant Substances, Uzbekistan Republic Academy of Sciences, Tashkent 700170
  • М. А. Аширматов Acad. S. Yunusov Institute of Chemistry of Plant Substances, Uzbekistan Republic Academy of Sciences, Tashkent 700170
  • Х. М. Шахидоятов Acad. S. Yunusov Institute of Chemistry of Plant Substances, Uzbekistan Republic Academy of Sciences, Tashkent 700170

Keywords:

2-oxopyrimidinones-4, gas phase, quantum-chemical calculations, AM1 and PM3 methods, reactivity, tautomerism, point dipoles

Abstract

Semiempirical quantum-chemical calculations have been carried out of the molecules of 2‑oxopyrimidinones-4. The geometry and electronic structures and the stabilities of the tautomeric forms have been analyzed.

How to Cite
Mamarakhmonov, M. Kh.; Ashirmatov, M. A.; Shakhidoyatov, Kh. M. Chem. Heterocycl. Compd. 2001, 37, 993. [Khim. Geterotsikl. Soedin. 2001, 1O82.]

For this article in the English edition, see DOI https://doi.org/10.1023/A:1012791718619

Downloads

Published

2001-08-25

Issue

No. 8 (2001)

Section

Original Papers