Identification of the vibrational spectra of apigenin and luteolin

Identification of the vibrational spectra of apigenin and luteolin

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 revea...

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Bibliographic Details
Published in:Surface investigation, x-ray, synchrotron and neutron techniques Vol. 9; no. 4; pp. 753 - 760
Main Authors: Shagautdinova, I. T., Elkin, M. D., Likhter, A. M.
Format: Journal Article
Language:English
Published: Moscow Pleiades Publishing 01-07-2015
Subjects:
Chemistry and Materials Science
Materials Science
Surfaces and Interfaces
Thin Films
apigenin
luteolin
flavonoids
vibrational spectra
spectral identification
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Summary: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.
ISSN:1027-4510
1819-7094
DOI:10.1134/S1027451015040175