Design and Synthesis of NLO Efficient Organometallic Molecules

Detalhes bibliográficos
Autor(a) principal: Mendes, Paulo J. G.
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/10174/5059
Resumo: Second-order nonlinear optical (SO-NLO) properties of group 8 half-sandwich organometallic complexes have been intensively studied throughout the last 15 years, making this class of compounds relevant for the continuous search of NLO materials. This contribution surveys the ongoing efforts to design, characterize and optimize the NLO properties of this class of compounds. Computational studies, namely DFT calculations, were performed for several model molecules in order to predict the first hyperpolarizabilities and to support experimental evidences.
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spelling Design and Synthesis of NLO Efficient Organometallic MoleculesNon-linear opticsfirst hyperpolarizabilityorganometallicsSecond-order nonlinear optical (SO-NLO) properties of group 8 half-sandwich organometallic complexes have been intensively studied throughout the last 15 years, making this class of compounds relevant for the continuous search of NLO materials. This contribution surveys the ongoing efforts to design, characterize and optimize the NLO properties of this class of compounds. Computational studies, namely DFT calculations, were performed for several model molecules in order to predict the first hyperpolarizabilities and to support experimental evidences.ICCMSE 2010 | Eighth International Conference of Computational Methods in Sciences and Engineering2012-03-23T15:23:32Z2012-03-232010-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/conferenceObjecthttp://hdl.handle.net/10174/5059http://hdl.handle.net/10174/5059engICCMSE 2010 Symposium 14: Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases, Psalidi, Kos, Greece, 03-08 Oct 2010http://www.iccmse.org/ICCMSE2010/index.htmnaonaonaopjgm@uevora.pt306Mendes, Paulo J. G.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:RCAAP2024-01-03T18:43:24Zoai:dspace.uevora.pt:10174/5059Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T01:00:07.162334Repositório 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 Design and Synthesis of NLO Efficient Organometallic Molecules
title Design and Synthesis of NLO Efficient Organometallic Molecules
spellingShingle Design and Synthesis of NLO Efficient Organometallic Molecules
Mendes, Paulo J. G.
Non-linear optics
first hyperpolarizability
organometallics
title_short Design and Synthesis of NLO Efficient Organometallic Molecules
title_full Design and Synthesis of NLO Efficient Organometallic Molecules
title_fullStr Design and Synthesis of NLO Efficient Organometallic Molecules
title_full_unstemmed Design and Synthesis of NLO Efficient Organometallic Molecules
title_sort Design and Synthesis of NLO Efficient Organometallic Molecules
author Mendes, Paulo J. G.
author_facet Mendes, Paulo J. G.
author_role author
dc.contributor.author.fl_str_mv Mendes, Paulo J. G.
dc.subject.por.fl_str_mv Non-linear optics
first hyperpolarizability
organometallics
topic Non-linear optics
first hyperpolarizability
organometallics
description Second-order nonlinear optical (SO-NLO) properties of group 8 half-sandwich organometallic complexes have been intensively studied throughout the last 15 years, making this class of compounds relevant for the continuous search of NLO materials. This contribution surveys the ongoing efforts to design, characterize and optimize the NLO properties of this class of compounds. Computational studies, namely DFT calculations, were performed for several model molecules in order to predict the first hyperpolarizabilities and to support experimental evidences.
publishDate 2010
dc.date.none.fl_str_mv 2010-01-01T00:00:00Z
2012-03-23T15:23:32Z
2012-03-23
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/conferenceObject
format conferenceObject
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10174/5059
http://hdl.handle.net/10174/5059
url http://hdl.handle.net/10174/5059
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv ICCMSE 2010 Symposium 14: Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases, Psalidi, Kos, Greece, 03-08 Oct 2010
http://www.iccmse.org/ICCMSE2010/index.htm
nao
nao
nao
pjgm@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 ICCMSE 2010 | Eighth International Conference of Computational Methods in Sciences and Engineering
publisher.none.fl_str_mv ICCMSE 2010 | Eighth International Conference of Computational Methods in Sciences and Engineering
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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