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Identification of the vibrational spectra of apigenin and luteolin

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Abstract

Model quantum calculations of the geometric structure and vibrational spectra of such flavone-containing compounds as apigenin and luteolin are carried out within the framework of DFT/b3LYP density functional theory. Signs of the spectral identification of the conformers of these compounds are revealed.

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Authors and Affiliations

  1. Astrakhan State University, Astrakhan, 414056, Russia

    I. T. Shagautdinova, M. D. Elkin & A. M. Likhter

Authors
  1. I. T. Shagautdinova
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  2. M. D. Elkin
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  3. A. M. Likhter
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Correspondence to I. T. Shagautdinova.

Additional information

Original Russian Text © I.T. Shagautdinova, M.D. Elkin, A.M. Likhter, 2015, published in Poverkhnost’. Rentgenovskie, Sinkhrotronnye i Neitronnye Issledovaniya, 2015, No. 7, pp. 105–112.

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Shagautdinova, I.T., Elkin, M.D. & Likhter, A.M. Identification of the vibrational spectra of apigenin and luteolin. J. Surf. Investig. 9, 753–760 (2015). https://doi.org/10.1134/S1027451015040175

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  • DOI: https://doi.org/10.1134/S1027451015040175

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