Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities

Detalhes bibliográficos
Autor(a) principal: Mendes, Paulo J.
Data de Publicação: 2013
Outros Autores: Ramalho, J.P. prates, Carvalho, A. J. Palace
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10174/8561
https://doi.org/10.1002/ejic.201300048
Resumo: η5-Monocyclopentadienyliron(II)/ruthenium(II) complexes of the general formula [M(η5-C5H5)(PP)(L1)][PF6] {M = Fe, PP = dppe; M = Ru, PP = dppe or 2PPh3; L1 = 5-[3-(thiophen-2-yl)benzo[c]thiophenyl]thiophene-2-carbonitrile} have been synthesized and studied to evaluate their molecular quadratic hyperpolarizabilities. The compounds were fully characterized by NMR, FTIR and UV/Vis spectroscopy and their electrochemical behaviour studied by cyclic voltammetry. Quadratic hyperpolarizabilities (β) were determined by hyper-Rayleigh scattering measurements at a fundamental wavelength of 1500 nm. Density functional theory calculations were employed to rationalize the second-order non-linear optical properties of these complexes.
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spelling Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic HyperpolarizabilitiesRuthenium and IronSulfur ­heterocyclesNonlinear opticsHyper­polarizabilitiesη5-Monocyclopentadienyliron(II)/ruthenium(II) complexes of the general formula [M(η5-C5H5)(PP)(L1)][PF6] {M = Fe, PP = dppe; M = Ru, PP = dppe or 2PPh3; L1 = 5-[3-(thiophen-2-yl)benzo[c]thiophenyl]thiophene-2-carbonitrile} have been synthesized and studied to evaluate their molecular quadratic hyperpolarizabilities. The compounds were fully characterized by NMR, FTIR and UV/Vis spectroscopy and their electrochemical behaviour studied by cyclic voltammetry. Quadratic hyperpolarizabilities (β) were determined by hyper-Rayleigh scattering measurements at a fundamental wavelength of 1500 nm. Density functional theory calculations were employed to rationalize the second-order non-linear optical properties of these complexes.Wiley2013-06-17T10:27:24Z2013-06-172013-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10174/8561http://hdl.handle.net/10174/8561https://doi.org/10.1002/ejic.201300048engQUIpjgm@uevora.ptjpcar@uevora.ptajpalace@uevora.pt306Mendes, Paulo J.Ramalho, J.P. pratesCarvalho, A. J. Palaceinfo: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:RCAAP2024-01-03T18:49:42Zoai:dspace.uevora.pt:10174/8561Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T01:02:47.641894Repositório 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 Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities
title Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities
spellingShingle Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities
Mendes, Paulo J.
Ruthenium and Iron
Sulfur ­heterocycles
Nonlinear optics
Hyper­polarizabilities
title_short Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities
title_full Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities
title_fullStr Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities
title_full_unstemmed Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities
title_sort Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis, Characterization and Quadratic Hyperpolarizabilities
author Mendes, Paulo J.
author_facet Mendes, Paulo J.
Ramalho, J.P. prates
Carvalho, A. J. Palace
author_role author
author2 Ramalho, J.P. prates
Carvalho, A. J. Palace
author2_role author
author
dc.contributor.author.fl_str_mv Mendes, Paulo J.
Ramalho, J.P. prates
Carvalho, A. J. Palace
dc.subject.por.fl_str_mv Ruthenium and Iron
Sulfur ­heterocycles
Nonlinear optics
Hyper­polarizabilities
topic Ruthenium and Iron
Sulfur ­heterocycles
Nonlinear optics
Hyper­polarizabilities
description η5-Monocyclopentadienyliron(II)/ruthenium(II) complexes of the general formula [M(η5-C5H5)(PP)(L1)][PF6] {M = Fe, PP = dppe; M = Ru, PP = dppe or 2PPh3; L1 = 5-[3-(thiophen-2-yl)benzo[c]thiophenyl]thiophene-2-carbonitrile} have been synthesized and studied to evaluate their molecular quadratic hyperpolarizabilities. The compounds were fully characterized by NMR, FTIR and UV/Vis spectroscopy and their electrochemical behaviour studied by cyclic voltammetry. Quadratic hyperpolarizabilities (β) were determined by hyper-Rayleigh scattering measurements at a fundamental wavelength of 1500 nm. Density functional theory calculations were employed to rationalize the second-order non-linear optical properties of these complexes.
publishDate 2013
dc.date.none.fl_str_mv 2013-06-17T10:27:24Z
2013-06-17
2013-01-01T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10174/8561
http://hdl.handle.net/10174/8561
https://doi.org/10.1002/ejic.201300048
url http://hdl.handle.net/10174/8561
https://doi.org/10.1002/ejic.201300048
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv QUI
pjgm@uevora.pt
jpcar@uevora.pt
ajpalace@uevora.pt
306
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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