Abstract
Vibration spectra of furoxan in liquid and crystalline states are investigated. Force constants and optoelectronic parameters of furazan and furoxan are calculated by MINDO/3. Their values are compared with those obtained by solving inverse spectral problems. It is shown that the band at 1605 cm−1, which is characteristic of all furoxans, is due to vibrations of the C=N(−>0) group.
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Kazan Technological University. Kazan Construction Engineering Institute. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 6, pp. 54–59, November–December, 1994
Translated by L. Smolina
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Kovalenko, V.I., Furer, V.L., Anisimova, L.I. et al. Vibration spectra and quantum chemical calculation of optoelectronic and force parameters of furazan and furoxan. J Struct Chem 35, 799–803 (1994). https://doi.org/10.1007/BF02578110
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DOI: https://doi.org/10.1007/BF02578110