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

Duy Duc Nguyen; Jens Spanget-Larsen

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

Kemi

Publikation: Konferencebidrag › Poster › Forskning

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

Originalsprog	Engelsk
Publikationsdato	2009
Status	Udgivet - 2009
Begivenhed	"Frontiers in Computational Chemistry" (arranged by COMPKEM, the Danish Graduate School in Computational Chemistry) - Svendborg, Danmark Varighed: 29 mar. 2009 → 2 apr. 2009

Konference

Konference	"Frontiers in Computational Chemistry" (arranged by COMPKEM, the Danish Graduate School in Computational Chemistry)
Land/Område	Danmark
By	Svendborg
Periode	29/03/2009 → 02/04/2009

Citer dette

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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",

author = "Nguyen, {Duy Duc} and Jens Spanget-Larsen",

year = "2009",

language = "English",

note = "{"}Frontiers in Computational Chemistry{"} (arranged by COMPKEM, the Danish Graduate School in Computational Chemistry) ; Conference date: 29-03-2009 Through 02-04-2009",

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Synchrotron Radiation Linear Dichroism (SRLD) and Time Dependent Density Functional Theory (TD-DFT) Calculations on Dihydroxy-Anthraquinones. / Nguyen, Duy Duc; Spanget-Larsen, Jens.
2009. Poster session præsenteret på "Frontiers in Computational Chemistry" (arranged by COMPKEM, the Danish Graduate School in Computational Chemistry), Svendborg, Danmark.

Publikation: Konferencebidrag › Poster › Forskning

TY - CONF

T1 - Synchrotron Radiation Linear Dichroism (SRLD) and Time Dependent Density Functional Theory (TD-DFT) Calculations on Dihydroxy-Anthraquinones

AU - Nguyen, Duy Duc

AU - Spanget-Larsen, Jens

PY - 2009

Y1 - 2009

N2 - 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

AB - 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

M3 - Poster

T2 - "Frontiers in Computational Chemistry" (arranged by COMPKEM, the Danish Graduate School in Computational Chemistry)

Y2 - 29 March 2009 through 2 April 2009

ER -