Publications in Scientific Journals:
F. Billes, I. Mohammed-Ziegler, H. Mikosch, E. Tyihák:
"Vibrational spectroscopy of resveratrol";
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
68
(2007),
669
- 679.
English abstract:
In this article the authors deal with the experimental and theoretical interpretation of the vibrational spectra of trans-resveratrol (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.
Keywords:
Resveratrol; Vibrational spectra; Atomic net charges; Stilbenoid; Quantum chemistry; Normal coordinate analysis
"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
http://dx.doi.org/10.1016/j.saa.2006.12.045
Electronic version of the publication:
http://publik.tuwien.ac.at/files/pub-tch_7285.pdf
Created from the Publication Database of the Vienna University of Technology.