TY - JOUR
T1 - Electronic states of myricetin
T2 - UV-Vis polarization spectroscopy and quantum chemical calculations
AU - Vojta, Danijela
AU - Karlsen, Eva
AU - Spanget-Larsen, Jens
N1 - This publication is dedicated to Professor Rolf Gleiter on the occasion of his 80th anniversary.
PY - 2017/2/15
Y1 - 2017/2/15
N2 - 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 40000 – 20000 cm–1 were 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).
AB - 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 40000 – 20000 cm–1 were 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).
KW - Linear dichroism
KW - Time-Dependent Density Functional Theory (TD-DFT)
KW - Transition moment directions
KW - UV-Vis polarization spectroscopy
U2 - 10.1016/j.saa.2016.09.012
DO - 10.1016/j.saa.2016.09.012
M3 - Journal article
SN - 1386-1425
VL - 173
SP - 182
EP - 187
JO - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
JF - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
ER -