Calculations and electron spin resonance spectra of syringic and sinapinicacid

Authors
Pecur, S Klasinc, L Stettmaier, K Bors, W McGlynn, SP
Citation
S. Pecur et al., Calculations and electron spin resonance spectra of syringic and sinapinicacid, INT J QUANT, 80(6), 2000, pp. 1210-1215
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
80
Issue
6
Year of publication
2000
Pages
1210 - 1215
Database
ISI
SICI code
0020-7608(200012)80:6<1210:CAESRS>2.0.ZU;2-8
Abstract
Syringic acid (3,5-dimethoxy-4-hydroxybenzoic acid) and sinapinic acid (3,5 -dimethoxy-4-hydroxycinnamic acid) are used as model compounds to correlate electron spin resonance (ESR) spectral data with structural and spin distr ibution information obtained from ab initio (Gaussian94) calculations. ESR spectra and computational results will be used to interpret the antioxidant activity of natural phenolic compounds. (C) 2000 John Wiley & Sons, Inc.