F. Billes, I. Mohammed-Ziegler, H. Mikosch, E. Tyihák:
"Vibrational spectroscopy of resveratrol";
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 68 (2007), S. 669 - 679.

Kurzfassung englisch:
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.

Resveratrol; Vibrational spectra; Atomic net charges; Stilbenoid; Quantum chemistry; Normal coordinate analysis

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Erstellt aus der Publikationsdatenbank der Technischen Universität Wien.