title: Electronic states of Myricetin. UV-Vis polarization spectroscopy and quantum chemical calculations.
abstract: Myricetin (3,3',4',5,5',7'-hexahydroxyflavone) was investigated by linear dichroism spectroscopy on molecular samples partially aligned in stretched poly(vinyl alcohol) (PVA). At least five electronic transitions in the range 40,000-20,000cm-1were characterized with respect to their wavenumbers, relative intensities, and transition moment directions. The observed bands were assigned to electronic transitions predicted with TD-B3LYP/6-31+G(d,p).
authors.affiliation: Division of Organic Chemistry and Biochemistry, Rudjer Boskovic Institute, Bijenicka 54, 10000 Zagreb, Croatia. Electronic address: dvojta@irb.hr.
authors.forename: Danijela
authors.initials: D
authors.lastname: Vojta
authors.affiliation: Department of Science and Environment, Roskilde University, Postbox 260, Universitetsvej 1, DK-4000 Roskilde, Denmark.
authors.forename: Eva Marie
authors.initials: EM
authors.lastname: Karlsen
authors.affiliation: Department of Science and Environment, Roskilde University, Postbox 260, Universitetsvej 1, DK-4000 Roskilde, Denmark. Electronic address: spanget@ruc.dk.
authors.forename: Jens
authors.initials: J
authors.lastname: Spanget-Larsen
keywords: Linear dichroism; Myricetin; Time-dependent density functional theory; Transition moment directions; UV–Vis polarization spectroscopy