Ground and excited state properties of alizarin and its isomers

Autores
Mech, Justyna; Grela, Maria Alejandra; Szacilowski, K.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Fil: Mech, Justyna. University Of Science And Technology; Polonia
Fil: Grela, Maria Alejandra. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Szacilowski, K.. University Of Science And Technology; Polonia. Jagiellonian University; Polonia
Materia
Alizarin
Excited State
Density Functional Theory
Optical Spectroscopy
Dihydroxyanthraquinone
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/25621
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/25621
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Ground and excited state properties of alizarin and its isomersMech, JustynaGrela, Maria AlejandraSzacilowski, K.AlizarinExcited StateDensity Functional TheoryOptical SpectroscopyDihydroxyanthraquinonehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Four 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.Fil: Mech, Justyna. University Of Science And Technology; PoloniaFil: Grela, Maria Alejandra. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Szacilowski, K.. University Of Science And Technology; Polonia. Jagiellonian University; PoloniaElsevier2014-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/25621Mech, Justyna; Grela, Maria Alejandra; Szacilowski, K.; Ground and excited state properties of alizarin and its isomers; Elsevier; Dyes And Pigments; 103; 1-2014; 202-2130143-7208CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.dyepig.2013.12.009info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0143720813004804info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:30:12Zoai:ri.conicet.gov.ar:11336/25621instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:30:12.627CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Ground and excited state properties of alizarin and its isomers
title Ground and excited state properties of alizarin and its isomers
spellingShingle Ground and excited state properties of alizarin and its isomers
Mech, Justyna
Alizarin
Excited State
Density Functional Theory
Optical Spectroscopy
Dihydroxyanthraquinone
title_short Ground and excited state properties of alizarin and its isomers
title_full Ground and excited state properties of alizarin and its isomers
title_fullStr Ground and excited state properties of alizarin and its isomers
title_full_unstemmed Ground and excited state properties of alizarin and its isomers
title_sort Ground and excited state properties of alizarin and its isomers
dc.creator.none.fl_str_mv Mech, Justyna
Grela, Maria Alejandra
Szacilowski, K.
author Mech, Justyna
author_facet Mech, Justyna
Grela, Maria Alejandra
Szacilowski, K.
author_role author
author2 Grela, Maria Alejandra
Szacilowski, K.
author2_role author
author
dc.subject.none.fl_str_mv Alizarin
Excited State
Density Functional Theory
Optical Spectroscopy
Dihydroxyanthraquinone
topic Alizarin
Excited State
Density Functional Theory
Optical Spectroscopy
Dihydroxyanthraquinone
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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.
Fil: Mech, Justyna. University Of Science And Technology; Polonia
Fil: Grela, Maria Alejandra. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Szacilowski, K.. University Of Science And Technology; Polonia. Jagiellonian University; Polonia
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.
publishDate 2014
dc.date.none.fl_str_mv 2014-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/25621
Mech, Justyna; Grela, Maria Alejandra; Szacilowski, K.; Ground and excited state properties of alizarin and its isomers; Elsevier; Dyes And Pigments; 103; 1-2014; 202-213
0143-7208
CONICET Digital
CONICET
url http://hdl.handle.net/11336/25621
identifier_str_mv Mech, Justyna; Grela, Maria Alejandra; Szacilowski, K.; Ground and excited state properties of alizarin and its isomers; Elsevier; Dyes And Pigments; 103; 1-2014; 202-213
0143-7208
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.dyepig.2013.12.009
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0143720813004804
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1844614310351863808
score 13.070432

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