Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes

Detalhes bibliográficos
Autor(a) principal: Fratiloiu, Silvia
Data de Publicação: 2007
Outros Autores: Fonseca, Sofia M., Grozema, Ferdinand C., Burrows, Hugh D., Costa, Maria L., Charas, Ana, Morgado, Jorge, Siebbeles, Laurens D. A.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10316/10390
https://doi.org/10.1021/jp067923m
Resumo: This paper reports optical absorption spectra of oxidized fluorene copolymers obtained by chemical oxidation with Ce(IV) and by pulse radiolysis experiments in chlorinated solvents. Comparison of the results observed by the two techniques is used to provide spectral data on the copolymer radical ions and information on stability of the oxidized species. In addition, a detailed quantum chemical characterization is presented, concerning the electronic and optical properties of three series of charged oligomers containing alternating fluorene and phenylene or thienylene or benzothiadiazole units, respectively. The introduction of the comonomer strongly influences the optical properties, leading to a red shift in the absorption spectra of the charged oligomers. This shift is more pronounced in the case of fluorene benzothiadiazole anions due to the strong electron-accepting character of the benzothiadiazole moieties. The charge distribution of the fluorene benzothiadiazole anion is different from that corresponding to fluorene phenylene and fluorene thienylene anions. The negative charge of the latter oligomers is evenly distributed over the fluorene units, while the former oligomer localizes the negative charge on the benzothiadiazole units. The charge distribution correlates with the optical absorption spectra. When the positive charge is localized on a different unit than the negative charge, the cation and anion spectra are different. Similar spectra are obtained if both the positive and negative charges are localized on the same unit.
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spelling Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting DiodesThis paper reports optical absorption spectra of oxidized fluorene copolymers obtained by chemical oxidation with Ce(IV) and by pulse radiolysis experiments in chlorinated solvents. Comparison of the results observed by the two techniques is used to provide spectral data on the copolymer radical ions and information on stability of the oxidized species. In addition, a detailed quantum chemical characterization is presented, concerning the electronic and optical properties of three series of charged oligomers containing alternating fluorene and phenylene or thienylene or benzothiadiazole units, respectively. The introduction of the comonomer strongly influences the optical properties, leading to a red shift in the absorption spectra of the charged oligomers. This shift is more pronounced in the case of fluorene benzothiadiazole anions due to the strong electron-accepting character of the benzothiadiazole moieties. The charge distribution of the fluorene benzothiadiazole anion is different from that corresponding to fluorene phenylene and fluorene thienylene anions. The negative charge of the latter oligomers is evenly distributed over the fluorene units, while the former oligomer localizes the negative charge on the benzothiadiazole units. The charge distribution correlates with the optical absorption spectra. When the positive charge is localized on a different unit than the negative charge, the cation and anion spectra are different. Similar spectra are obtained if both the positive and negative charges are localized on the same unit.American Chemical Society2007-04-19info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10390http://hdl.handle.net/10316/10390https://doi.org/10.1021/jp067923mengThe Journal of Physical Chemistry C. 111:15 (2007) 5812-58201932-7447Fratiloiu, SilviaFonseca, Sofia M.Grozema, Ferdinand C.Burrows, Hugh D.Costa, Maria L.Charas, AnaMorgado, JorgeSiebbeles, Laurens D. A.info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2021-05-25T08:22:40Zoai:estudogeral.uc.pt:10316/10390Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:15.631767Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes
title Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes
spellingShingle Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes
Fratiloiu, Silvia
title_short Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes
title_full Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes
title_fullStr Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes
title_full_unstemmed Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes
title_sort Opto-Electronic Properties of Fluorene-Based Derivatives as Precursors for Light-Emitting Diodes
author Fratiloiu, Silvia
author_facet Fratiloiu, Silvia
Fonseca, Sofia M.
Grozema, Ferdinand C.
Burrows, Hugh D.
Costa, Maria L.
Charas, Ana
Morgado, Jorge
Siebbeles, Laurens D. A.
author_role author
author2 Fonseca, Sofia M.
Grozema, Ferdinand C.
Burrows, Hugh D.
Costa, Maria L.
Charas, Ana
Morgado, Jorge
Siebbeles, Laurens D. A.
author2_role author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Fratiloiu, Silvia
Fonseca, Sofia M.
Grozema, Ferdinand C.
Burrows, Hugh D.
Costa, Maria L.
Charas, Ana
Morgado, Jorge
Siebbeles, Laurens D. A.
description This paper reports optical absorption spectra of oxidized fluorene copolymers obtained by chemical oxidation with Ce(IV) and by pulse radiolysis experiments in chlorinated solvents. Comparison of the results observed by the two techniques is used to provide spectral data on the copolymer radical ions and information on stability of the oxidized species. In addition, a detailed quantum chemical characterization is presented, concerning the electronic and optical properties of three series of charged oligomers containing alternating fluorene and phenylene or thienylene or benzothiadiazole units, respectively. The introduction of the comonomer strongly influences the optical properties, leading to a red shift in the absorption spectra of the charged oligomers. This shift is more pronounced in the case of fluorene benzothiadiazole anions due to the strong electron-accepting character of the benzothiadiazole moieties. The charge distribution of the fluorene benzothiadiazole anion is different from that corresponding to fluorene phenylene and fluorene thienylene anions. The negative charge of the latter oligomers is evenly distributed over the fluorene units, while the former oligomer localizes the negative charge on the benzothiadiazole units. The charge distribution correlates with the optical absorption spectra. When the positive charge is localized on a different unit than the negative charge, the cation and anion spectra are different. Similar spectra are obtained if both the positive and negative charges are localized on the same unit.
publishDate 2007
dc.date.none.fl_str_mv 2007-04-19
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
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status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10316/10390
http://hdl.handle.net/10316/10390
https://doi.org/10.1021/jp067923m
url http://hdl.handle.net/10316/10390
https://doi.org/10.1021/jp067923m
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv The Journal of Physical Chemistry C. 111:15 (2007) 5812-5820
1932-7447
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
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dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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