Electronic states of myricetin

UV-Vis polarization spectroscopy and quantum chemical calculations

Danijela Vojta, Eva Karlsen, Jens Spanget-Larsen

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

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).
OriginalsprogEngelsk
TidsskriftSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Vol/bind173
Sider (fra-til)182-187
Antal sider6
ISSN1386-1425
DOI
StatusUdgivet - 15 feb. 2017

Citer dette

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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).",
keywords = "UV-Vis polarization spectroscopy, Linear dichroism, Transition moment directions, Time-Dependent Density Functional Theory (TD-DFT)",
author = "Danijela Vojta and Eva Karlsen and Jens Spanget-Larsen",
note = "This publication is dedicated to Professor Rolf Gleiter on the occasion of his 80th anniversary.",
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Electronic states of myricetin : UV-Vis polarization spectroscopy and quantum chemical calculations. / Vojta, Danijela; Karlsen, Eva; Spanget-Larsen, Jens.

I: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Bind 173, 15.02.2017, s. 182-187.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

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 - UV-Vis polarization spectroscopy

KW - Linear dichroism

KW - Transition moment directions

KW - Time-Dependent Density Functional Theory (TD-DFT)

U2 - 10.1016/j.saa.2016.09.012

DO - 10.1016/j.saa.2016.09.012

M3 - Journal article

VL - 173

SP - 182

EP - 187

JO - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

SN - 1386-1425

ER -