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Assignments and forms of stretching vibrations of 1,4-naphthoquinone carbonyl groups

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Journal of Applied Spectroscopy Aims and scope

Absorption bands in infrared spectra of 1,4-naphthoquinone and its derivatives were assigned based on calculations of normal mode frequencies in the gas phase by a B3LYP/cc-pVTZ method taking into account the influence of cyclohexane. It was shown that the stretching vibrations of the carbonyl groups were coupled only in molecules of unsubstituted 1,4-naphthoquinone and its symmetric 2,3-substituted derivatives.

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Authors and Affiliations

  1. G. B. Elyakov Pacific Institute of Bioorganic Chemistry, Far-East Branch, Russian Academy of Sciences, 159 100-Let Vladivostok Ave., Vladivostok, 690022, Russia

    V. P. Glazunov & D. V. Berdyshev

Authors
  1. V. P. Glazunov
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  2. D. V. Berdyshev
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Correspondence to V. P. Glazunov.

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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 79, No. 5, pp. 689–700, September–October, 2012.

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Glazunov, V.P., Berdyshev, D.V. Assignments and forms of stretching vibrations of 1,4-naphthoquinone carbonyl groups. J Appl Spectrosc 79, 675–686 (2012). https://doi.org/10.1007/s10812-012-9657-4

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  • DOI: https://doi.org/10.1007/s10812-012-9657-4

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