Electronic states of myricetin

UV-Vis polarization spectroscopy and quantum chemical calculations

Danijela Vojta, Eva Karlsen, Jens Spanget-Larsen

Research output: Contribution to journalJournal articleResearchpeer-review

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 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).
Original languageEnglish
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume173
Pages (from-to)182-187
Number of pages6
ISSN1386-1425
DOIs
Publication statusPublished - 15 Feb 2017

Bibliographical note

This publication is dedicated to Professor Rolf Gleiter on the occasion of his 80th anniversary.

Keywords

  • UV-Vis polarization spectroscopy
  • Linear dichroism
  • Transition moment directions
  • Time-Dependent Density Functional Theory (TD-DFT)

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