Abstract
An intense band, which is shifted to lower frequencies (to 1350 cm−1) on introduction of a nitro group into the 5-position, is observed in the Raman spectra of nitro derivatives of 1,2,4-triazole which contain a nitro group in the 3-position. Bands with frequencies of 1540–1560 cm−1, which are practically insensitive to the introduction of various substituents into the ring, are observed in the IR and Raman spectra. The frequencies and forms of the normal vibrations of 3-nitro-1,2,4-triazole (symmetry group CS) were calculated. The characteristic (with respect to frequency) vibration with νexp = 1550 cm−1 is related to the symmetrical antiphase vibration of the nitro group, while the bands at 1400–1430 cm−1 are the complex planar vibration of the fragment of the molecule which includes the nitro group and three ring atoms, i.e.,
, with a substantial contribution to the deformation vibration.
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See [1] for communication X.
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 3, pp. 414–417, March, 1971.
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Mel'nikov, V.V., Stolpakova, V.V. & Pevzner, M.S. Heterocyclic nitro compounds. Chem Heterocycl Compd 7, 381–384 (1971). https://doi.org/10.1007/BF00944429
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DOI: https://doi.org/10.1007/BF00944429