Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching

Detalhes bibliográficos
Autor(a) principal: Mendes, Paulo J.
Data de Publicação: 2010
Tipo de documento: Artigo de conferência
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10174/5339
Resumo: The limitations on semiconductor-based electronics have inspired many researchers on the development of new photonic molecular materials possessing faster and more accurate responses to external electric or optical stimulus. Non-linear optics (NLO) involves manipulation of laser beams and therefore can be used for electro-optic signaling and data processing. The two most used effects in NLO for these purposes are second harmonic generation (SHG) and frequency doubling, both producing high intensity green laser beams.[1] Due to their electronic proprieties, synthetic tailorability and enhanced stability, monocyclopentadienylmetal complexes of group VIII containing aromatic organic chromophores have proven interesting potentialities for NLO applications, namely SHG. Our recent studies have shown that combining both iron (II) and ruthenium (II) organometallic fragments with acetylide or nitrile thiophene chromophores, the static hyperpolarizability (β0), related to the SHG signal, will be drastically enhanced by: 1) increasing the metal-to-ligand charge transfer (MLCT); 2) lowering the redox potential of the metal center; 3)increasing the electronic delocalization in the organic chromophore.[2] Our ongoing work on the molecular NLO-switching properties of Fe(II) and Ru(II) monocyclopentadienyl compounds, was attracted by benzo[c]thiophene based chromophores, which unique electronic behavior originated by their low HOMO–LUMO gaps, can be potentially on the basis of strong NLO effects.[3] This communication presents the synthesis, the electrochemical and the spectroscopic characterization of monocyclopentadienyliron(II)/ruthenium(II) derivatives containing acetylide and nitrile benzo[c]thiophene organic chromophores. Theoretical studies predicting the NLO and switching properties are presented, by the use of Density Functional Theory (DFT) and Time-Dependent DFT studies. Results will be discussed in order to relate the predicted NLO properties with the spectroscopic and electrochemical data, which can be used, eventually, as an experimental probe.
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spelling Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO SwitchingNLO SwitchingMetal ComplexesThe limitations on semiconductor-based electronics have inspired many researchers on the development of new photonic molecular materials possessing faster and more accurate responses to external electric or optical stimulus. Non-linear optics (NLO) involves manipulation of laser beams and therefore can be used for electro-optic signaling and data processing. The two most used effects in NLO for these purposes are second harmonic generation (SHG) and frequency doubling, both producing high intensity green laser beams.[1] Due to their electronic proprieties, synthetic tailorability and enhanced stability, monocyclopentadienylmetal complexes of group VIII containing aromatic organic chromophores have proven interesting potentialities for NLO applications, namely SHG. Our recent studies have shown that combining both iron (II) and ruthenium (II) organometallic fragments with acetylide or nitrile thiophene chromophores, the static hyperpolarizability (β0), related to the SHG signal, will be drastically enhanced by: 1) increasing the metal-to-ligand charge transfer (MLCT); 2) lowering the redox potential of the metal center; 3)increasing the electronic delocalization in the organic chromophore.[2] Our ongoing work on the molecular NLO-switching properties of Fe(II) and Ru(II) monocyclopentadienyl compounds, was attracted by benzo[c]thiophene based chromophores, which unique electronic behavior originated by their low HOMO–LUMO gaps, can be potentially on the basis of strong NLO effects.[3] This communication presents the synthesis, the electrochemical and the spectroscopic characterization of monocyclopentadienyliron(II)/ruthenium(II) derivatives containing acetylide and nitrile benzo[c]thiophene organic chromophores. Theoretical studies predicting the NLO and switching properties are presented, by the use of Density Functional Theory (DFT) and Time-Dependent DFT studies. Results will be discussed in order to relate the predicted NLO properties with the spectroscopic and electrochemical data, which can be used, eventually, as an experimental probe.3rd EUCHEMS 20102012-10-11T11:17:57Z2012-10-112010-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/conferenceObjecthttp://hdl.handle.net/10174/5339http://hdl.handle.net/10174/5339eng3rd EUCHEMS, Nuremberg, Germany, 29 Aug - 2 Sep 2010, CD-ROM Abstractshttp://www.euchems-congress2010.org/5576programme.pdfnaonaosimQUI - Comunicações - Em Congressos Científicos Internacionaispjgm@uevora.pt306Mendes, Paulo J.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:RCAAP2024-01-03T18:43:59Zoai:dspace.uevora.pt:10174/5339Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T01:00:20.633785Repositório 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 Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching
title Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching
spellingShingle Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching
Mendes, Paulo J.
NLO Switching
Metal Complexes
title_short Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching
title_full Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching
title_fullStr Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching
title_full_unstemmed Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching
title_sort Monocyclopentadienyliron (II) and Ruthenium (II) Complexes for NLO Switching
author Mendes, Paulo J.
author_facet Mendes, Paulo J.
author_role author
dc.contributor.author.fl_str_mv Mendes, Paulo J.
dc.subject.por.fl_str_mv NLO Switching
Metal Complexes
topic NLO Switching
Metal Complexes
description The limitations on semiconductor-based electronics have inspired many researchers on the development of new photonic molecular materials possessing faster and more accurate responses to external electric or optical stimulus. Non-linear optics (NLO) involves manipulation of laser beams and therefore can be used for electro-optic signaling and data processing. The two most used effects in NLO for these purposes are second harmonic generation (SHG) and frequency doubling, both producing high intensity green laser beams.[1] Due to their electronic proprieties, synthetic tailorability and enhanced stability, monocyclopentadienylmetal complexes of group VIII containing aromatic organic chromophores have proven interesting potentialities for NLO applications, namely SHG. Our recent studies have shown that combining both iron (II) and ruthenium (II) organometallic fragments with acetylide or nitrile thiophene chromophores, the static hyperpolarizability (β0), related to the SHG signal, will be drastically enhanced by: 1) increasing the metal-to-ligand charge transfer (MLCT); 2) lowering the redox potential of the metal center; 3)increasing the electronic delocalization in the organic chromophore.[2] Our ongoing work on the molecular NLO-switching properties of Fe(II) and Ru(II) monocyclopentadienyl compounds, was attracted by benzo[c]thiophene based chromophores, which unique electronic behavior originated by their low HOMO–LUMO gaps, can be potentially on the basis of strong NLO effects.[3] This communication presents the synthesis, the electrochemical and the spectroscopic characterization of monocyclopentadienyliron(II)/ruthenium(II) derivatives containing acetylide and nitrile benzo[c]thiophene organic chromophores. Theoretical studies predicting the NLO and switching properties are presented, by the use of Density Functional Theory (DFT) and Time-Dependent DFT studies. Results will be discussed in order to relate the predicted NLO properties with the spectroscopic and electrochemical data, which can be used, eventually, as an experimental probe.
publishDate 2010
dc.date.none.fl_str_mv 2010-01-01T00:00:00Z
2012-10-11T11:17:57Z
2012-10-11
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/conferenceObject
format conferenceObject
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dc.identifier.uri.fl_str_mv http://hdl.handle.net/10174/5339
http://hdl.handle.net/10174/5339
url http://hdl.handle.net/10174/5339
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 3rd EUCHEMS, Nuremberg, Germany, 29 Aug - 2 Sep 2010, CD-ROM Abstracts
http://www.euchems-congress2010.org/5576programme.pdf
nao
nao
sim
QUI - Comunicações - Em Congressos Científicos Internacionais
pjgm@uevora.pt
306
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dc.publisher.none.fl_str_mv 3rd EUCHEMS 2010
publisher.none.fl_str_mv 3rd EUCHEMS 2010
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