Vibrational spectra and structure of 1,2,4-triazole derivatives |
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Authors: | V V Mel'nikov V V Stolpakova M S Pevzner B V Gidaspov |
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Institution: | (1) Lensovet Leningrad Technological Institute, USSR |
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Abstract: | From an analysis of the IR and Raman spectra and a calculation of the frequencies and forms of the normal vibrations of the nitrotriazoles, conclusions have been drawn on the structure of 3,5-dinitro-1,2,4-triazole and 1-methyl-3,5-dinitro-1,2,4-triazole. The nitro group in position 3 of the triazole ring is located in the plane of the molecule, and that in position 5 is rotated about the CN bond. The spatial nonequivalence of the nitro groups leads to the splitting of the absorption bands in the IR spectra that are characteristic for the anti- and synphase vibrations of the nitro groups.For Communication (II), see 1].Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 9, pp. 1194–1198, September, 1973. |
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