Synchrotron Radiation Linear Dichroism (SRLD) and Time Dependent Density Functional Theory (TD-DFT) Calculations on Dihydroxy-Anthraquinones

Duy Duc Nguyen, Jens Spanget-Larsen

Publikation: KonferencebidragPosterForskning

Abstract

SRLD spectra of Quinizarin, Anthrarufin, and Chrysazin partially aligned in stretched polyethylene were measured at the ASTRID synchrotron UV1 beamline (ISA, Aarhus University), yielding absorbance and polarization data up to 57000 cm-1. The observed absorption bands were assigned to electronic transitions predicted by TD-DFT calculations
OriginalsprogEngelsk
Publikationsdato2009
StatusUdgivet - 2009
Begivenhed"Frontiers in Computational Chemistry" (arranged by COMPKEM, the Danish Graduate School in Computational Chemistry) - Svendborg, Danmark
Varighed: 29 mar. 20092 apr. 2009

Konference

Konference"Frontiers in Computational Chemistry" (arranged by COMPKEM, the Danish Graduate School in Computational Chemistry)
LandDanmark
BySvendborg
Periode29/03/200902/04/2009

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