Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6]
Autor(a) principal: | |
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Data de Publicação: | 1998 |
Outros Autores: | , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10174/8943 |
Resumo: | A new family of organometallic Ni II benzonitrile derivatives bearing strong donor substituents of general formula Ni - C H P C H NCC H R PF R NH , N CH , C H , OCH , H, F has been synthesized. A structural study by X-ray 5 5 6 5 3 6 4 6 2 3 2 6 5 3 diffraction of the compound with R NH showed crystallization on the centrosymmetric monoclinic space group, P2 n, with a quasi 2 1 planar structure of the coordinated nitrile. First and second hyperpolarizabilities evaluated by hyper-Rayleigh scattering and Maker fringe techniques showed essentially the same values for the complexes and the uncoordinated chromophores. Theoretical studies by the extended Hu¨ckel method found a small amount of delocalization due to the cancelling effects on the interaction of the metal fragment orbitals with and nitrile orbitals. |
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Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6]A new family of organometallic Ni II benzonitrile derivatives bearing strong donor substituents of general formula Ni - C H P C H NCC H R PF R NH , N CH , C H , OCH , H, F has been synthesized. A structural study by X-ray 5 5 6 5 3 6 4 6 2 3 2 6 5 3 diffraction of the compound with R NH showed crystallization on the centrosymmetric monoclinic space group, P2 n, with a quasi 2 1 planar structure of the coordinated nitrile. First and second hyperpolarizabilities evaluated by hyper-Rayleigh scattering and Maker fringe techniques showed essentially the same values for the complexes and the uncoordinated chromophores. Theoretical studies by the extended Hu¨ckel method found a small amount of delocalization due to the cancelling effects on the interaction of the metal fragment orbitals with and nitrile orbitals.2013-10-30T11:01:56Z2013-10-301998-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10174/8943http://hdl.handle.net/10174/8943por0022328XDias, Alberto R.; Garcia, M.Helena; Mendes, Paulo; Piedade, M.Fátima M.; Duarte, M.Teresa; Calhorda, Maria J.; Mealli, Carlo; Wenseleers, W.; Gerbrandij, A.W.; Goovaerts, Etienne. Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6], Journal of Organometallic Chemistry, 553, 1-2, 115-128, 1998.ndndndndndndndndndndDias, Alberto R.Garcia, M.HelenaMendes, PauloPiedade, M.Fátima M.Duarte, M.TeresaCalhorda, Maria J.Mealli, CarloWenseleers, W.Gerbrandij, A.W.Goovaerts, Etienneinfo: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:RCAAP2024-01-03T18:50:25Zoai:dspace.uevora.pt:10174/8943Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T01:03:05.811748Repositório 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 |
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6] |
title |
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6] |
spellingShingle |
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6] Dias, Alberto R. |
title_short |
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6] |
title_full |
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6] |
title_fullStr |
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6] |
title_full_unstemmed |
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6] |
title_sort |
Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6] |
author |
Dias, Alberto R. |
author_facet |
Dias, Alberto R. Garcia, M.Helena Mendes, Paulo Piedade, M.Fátima M. Duarte, M.Teresa Calhorda, Maria J. Mealli, Carlo Wenseleers, W. Gerbrandij, A.W. Goovaerts, Etienne |
author_role |
author |
author2 |
Garcia, M.Helena Mendes, Paulo Piedade, M.Fátima M. Duarte, M.Teresa Calhorda, Maria J. Mealli, Carlo Wenseleers, W. Gerbrandij, A.W. Goovaerts, Etienne |
author2_role |
author author author author author author author author author |
dc.contributor.author.fl_str_mv |
Dias, Alberto R. Garcia, M.Helena Mendes, Paulo Piedade, M.Fátima M. Duarte, M.Teresa Calhorda, Maria J. Mealli, Carlo Wenseleers, W. Gerbrandij, A.W. Goovaerts, Etienne |
description |
A new family of organometallic Ni II benzonitrile derivatives bearing strong donor substituents of general formula Ni - C H P C H NCC H R PF R NH , N CH , C H , OCH , H, F has been synthesized. A structural study by X-ray 5 5 6 5 3 6 4 6 2 3 2 6 5 3 diffraction of the compound with R NH showed crystallization on the centrosymmetric monoclinic space group, P2 n, with a quasi 2 1 planar structure of the coordinated nitrile. First and second hyperpolarizabilities evaluated by hyper-Rayleigh scattering and Maker fringe techniques showed essentially the same values for the complexes and the uncoordinated chromophores. Theoretical studies by the extended Hu¨ckel method found a small amount of delocalization due to the cancelling effects on the interaction of the metal fragment orbitals with and nitrile orbitals. |
publishDate |
1998 |
dc.date.none.fl_str_mv |
1998-01-01T00:00:00Z 2013-10-30T11:01:56Z 2013-10-30 |
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/10174/8943 http://hdl.handle.net/10174/8943 |
url |
http://hdl.handle.net/10174/8943 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
0022328X Dias, Alberto R.; Garcia, M.Helena; Mendes, Paulo; Piedade, M.Fátima M.; Duarte, M.Teresa; Calhorda, Maria J.; Mealli, Carlo; Wenseleers, W.; Gerbrandij, A.W.; Goovaerts, Etienne. Organometallic nickel(II) complexes with substituted benzonitrile ligands. Synthesis, electrochemical studies and non-linear optical properties. The X-ray crystal structure of [Ni(¿5-C5H5){P(C6H5)3}(NCC6H4NH2)][PF6], Journal of Organometallic Chemistry, 553, 1-2, 115-128, 1998. nd nd nd nd nd nd nd nd nd nd |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
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 |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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1799136514888695808 |