Calculation of the electron structures and electronic spectra of 3-chloro- and 3-amino-1,2,4-triazole derivatives期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Calculation of the electron structures and electronic spectra of 3-chloro- and 3-amino-1,2,4-triazole derivatives

Authors:	Voronkov M. G. Lopyrev V. A. Chipanina N. N. Makarskii V. V. Zasyadko O. A. Sherstyannikova L. V. Shibanova E. F. Vereshchagina T. N. Frolov Yu. L.

Affiliation:	(1) Irkutsk Institute of Organic Chemistry, Siberian Branch, Academy of Sciences of the USSR, 664033 Irkutsk

Abstract:	3-Chloro- and 3-amino-1,2,4-triazole derivatives were subjected to a theoretical study by means of quantum-chemical calculation by the Pariser-Parr-Pople method. The experimentally observed electron transitions were assigned. The Cl atom and the NH₂ group in the 3 position of 1,2,4-triazole subject the electron system of the heteroring to substantial perturbation.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 5, pp. 698–700, May, 1977.

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