期刊
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
卷 68, 期 3, 页码 669-679出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2006.12.045
关键词
resveratrol; vibrational spectra; atomic net charges; stilbenoid; quantum chemistry; normal coordinate analysis
类别
In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrot (3,5,4'-trihydroxy-trans-stilbene) of diverse beneficial biological activity. Infrared and Raman spectra of the compound were recorded; density functional calculations were carried out resulting in the optimized geometry and several properties of the molecule. Based on the calculated force constants, a normal coordinate analysis yielded the character of the vibrational modes and the assignment of the measured spectral bands. (C) 2007 Elsevier B.V. All rights reserved.
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