Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday.
Four different alizarin dyes are studied with optical, electrochemical and quantum-chemical techniques. Despite structural similarities they show marked differences regarding both ground and excited state properties. All these dyes are characterized with strong HOMO-LUMO transitions of internal char...
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2014
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01437208_v103_n_p202_Mech http://hdl.handle.net/20.500.12110/paper_01437208_v103_n_p202_Mech |
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paper:paper_01437208_v103_n_p202_Mech2023-06-08T15:11:54Z Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. Alizarin Density functional theory Dihydroxyanthraquinone Excited state Optical spectroscopy Reorganization Dihydroxyanthraquinone Dye-Sensitized solar cell Excited-state properties Internal charge transfer Intramolecular proton transfer Optical spectroscopy Quantum-chemical techniques Reorganization Alizarin Density functional theory Isomers Quantum chemistry Solar cells Excited states Four different alizarin dyes are studied with optical, electrochemical and quantum-chemical techniques. Despite structural similarities they show marked differences regarding both ground and excited state properties. All these dyes are characterized with strong HOMO-LUMO transitions of internal charge transfer character. These transitions, however, show different reorganization energies due to involvement of intramolecular proton transfer processes. Differences in charge redistribution upon excitation may lead to different photochemical reactivity of these species and also to different behavior in dye-sensitized solar cells and other devices. © 2013 Elsevier Ltd. All rights reserved. 2014 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01437208_v103_n_p202_Mech http://hdl.handle.net/20.500.12110/paper_01437208_v103_n_p202_Mech |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
Alizarin Density functional theory Dihydroxyanthraquinone Excited state Optical spectroscopy Reorganization Dihydroxyanthraquinone Dye-Sensitized solar cell Excited-state properties Internal charge transfer Intramolecular proton transfer Optical spectroscopy Quantum-chemical techniques Reorganization Alizarin Density functional theory Isomers Quantum chemistry Solar cells Excited states |
| spellingShingle |
Alizarin Density functional theory Dihydroxyanthraquinone Excited state Optical spectroscopy Reorganization Dihydroxyanthraquinone Dye-Sensitized solar cell Excited-state properties Internal charge transfer Intramolecular proton transfer Optical spectroscopy Quantum-chemical techniques Reorganization Alizarin Density functional theory Isomers Quantum chemistry Solar cells Excited states Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. |
| topic_facet |
Alizarin Density functional theory Dihydroxyanthraquinone Excited state Optical spectroscopy Reorganization Dihydroxyanthraquinone Dye-Sensitized solar cell Excited-state properties Internal charge transfer Intramolecular proton transfer Optical spectroscopy Quantum-chemical techniques Reorganization Alizarin Density functional theory Isomers Quantum chemistry Solar cells Excited states |
| description |
Four different alizarin dyes are studied with optical, electrochemical and quantum-chemical techniques. Despite structural similarities they show marked differences regarding both ground and excited state properties. All these dyes are characterized with strong HOMO-LUMO transitions of internal charge transfer character. These transitions, however, show different reorganization energies due to involvement of intramolecular proton transfer processes. Differences in charge redistribution upon excitation may lead to different photochemical reactivity of these species and also to different behavior in dye-sensitized solar cells and other devices. © 2013 Elsevier Ltd. All rights reserved. |
| title |
Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. |
| title_short |
Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. |
| title_full |
Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. |
| title_fullStr |
Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. |
| title_full_unstemmed |
Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. |
| title_sort |
ground and excited state properties of alizarin and its isomers dedicated to professor krzysztof fitzner of the occasion of his 70th birthday. |
| publishDate |
2014 |
| url |
https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01437208_v103_n_p202_Mech http://hdl.handle.net/20.500.12110/paper_01437208_v103_n_p202_Mech |
| _version_ |
1768545277460873216 |