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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.


Documento: Artículo
Título:Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday.
Autor:Mech, J.; Grela, M.A.; Szaciłowski, K.
Filiación:AGH University of Science and Technology, Faculty of Non-Ferrous Metals, Al. A. Mickiewicza 30, PL-30059 Krakow, Poland
Departamento de Química, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar Del Plata, B7602AYL Mar del Plata, Buenos Aires, Argentina
Faculty of Chemistry, Jagiellonian University, Ingardena 3, PL-30060 Krakow, Poland
Idioma: Inglés
Palabras clave: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
Página de inicio:202
Página de fin:213
Título revista:Dyes and Pigments
Título revista abreviado:Dyes Pigm.


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---------- APA ----------
Mech, J., Grela, M.A. & Szaciłowski, K. (2014) . Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. Dyes and Pigments, 103, 202-213.
---------- CHICAGO ----------
Mech, J., Grela, M.A., Szaciłowski, K. "Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday." Dyes and Pigments 103 (2014) : 202-213.
---------- MLA ----------
Mech, J., Grela, M.A., Szaciłowski, K. "Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday." Dyes and Pigments, vol. 103, 2014, pp. 202-213.
---------- VANCOUVER ----------
Mech, J., Grela, M.A., Szaciłowski, K. Ground and excited state properties of alizarin and its isomers Dedicated to professor Krzysztof Fitzner of the occasion of his 70th birthday. Dyes Pigm. 2014;103:202-213.