Antioxidant phenolic esters with potential anticancer activity: A Raman spectroscopy study

Abstract A Raman study of hydroxycinnamic and hydroxybenzoic esters (caffeates, ferulates and gallates) displaying antioxidant and anticancer properties was undertaken, with particular emphasis on the analysis of the effect of the ring substituents and the nature of the ester alkyl chain on their spectroscopic features. A complete assignment of the spectra was carried out for all the compounds investigated, in the light of the corresponding calculated wavenumbers (at the density functional theory level). Distinct vibrational patterns were observed for each type of ester, thereby allowing their ready characterisation and identification by Raman spectroscopy. Evidence of the occurrence of intermolecular hydrogen bonds, leading to the formation of dimers in the condensed phase, was also obtained. Copyright © 2007 John Wiley & Sons, Ltd.