Design and Synthesis of NLO Efficient Organometallic Molecules

Detalhes bibliográficos
Autor(a) principal: Mendes, Paulo
Data de Publicação: 2015
Outros Autores: Garcia, Maria H., Silva, Tiago J.L., Florindo, Pedro
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10174/17207
https://doi.org/10.1063/1.4906731
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 Moleculeshalf-sandwich complexesOrganometallicsNon Linear Opticsruthenium (II); iron(II)first hyperpolarizabilitySecond-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.European Soc Computat Methods Sci, Engn & TechnolAIP Conference Proceedings2016-02-02T11:32:11Z2016-02-022015-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10174/17207http://hdl.handle.net/10174/17207https://doi.org/10.1063/1.4906731engHelena Garcia, M.; Mendes, Paulo J.; Florindo, Pedro; Silva, Tiago J.L. Design and Synthesis of NLO Efficient Organometallic Molecules. PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010) AIP Conference Proceedings, 1642 (2015) 514-517http://scitation.aip.org/content/aip/proceeding/aipcp/10.1063/1.4906731DQUIpjgmen@gmail.commhgarcia@fc.ul.pttjlsilva@gmail.compedrorrflorindo@gmail.com307Mendes, PauloGarcia, Maria H.Silva, Tiago J.L.Florindo, Pedroinfo: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:RCAAP2024-01-03T19:04:37Zoai:dspace.uevora.pt:10174/17207Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T01:09:27.011309Repositório 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
half-sandwich complexes
Organometallics
Non Linear Optics
ruthenium (II); iron(II)
first hyperpolarizability
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
author_facet Mendes, Paulo
Garcia, Maria H.
Silva, Tiago J.L.
Florindo, Pedro
author_role author
author2 Garcia, Maria H.
Silva, Tiago J.L.
Florindo, Pedro
author2_role author
author
author
dc.contributor.author.fl_str_mv Mendes, Paulo
Garcia, Maria H.
Silva, Tiago J.L.
Florindo, Pedro
dc.subject.por.fl_str_mv half-sandwich complexes
Organometallics
Non Linear Optics
ruthenium (II); iron(II)
first hyperpolarizability
topic half-sandwich complexes
Organometallics
Non Linear Optics
ruthenium (II); iron(II)
first hyperpolarizability
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 2015
dc.date.none.fl_str_mv 2015-01-01T00:00:00Z
2016-02-02T11:32:11Z
2016-02-02
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/10174/17207
http://hdl.handle.net/10174/17207
https://doi.org/10.1063/1.4906731
url http://hdl.handle.net/10174/17207
https://doi.org/10.1063/1.4906731
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Helena Garcia, M.; Mendes, Paulo J.; Florindo, Pedro; Silva, Tiago J.L. Design and Synthesis of NLO Efficient Organometallic Molecules. PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010) AIP Conference Proceedings, 1642 (2015) 514-517
http://scitation.aip.org/content/aip/proceeding/aipcp/10.1063/1.4906731
DQUI
pjgmen@gmail.com
mhgarcia@fc.ul.pt
tjlsilva@gmail.com
pedrorrflorindo@gmail.com
307
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv AIP Conference Proceedings
publisher.none.fl_str_mv AIP Conference Proceedings
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
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
repository.mail.fl_str_mv
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