Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)...

Autores
Cattaneo, Mauricio; Vergara, Monica Mercedes; Garcia Posse, Monica E.; Fagalde, Florencia; Parella, Teodor; Katz, Néstor Eduardo
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The novel tetradentate ligand 1,4-bis(4-(40-methyl)-2,20-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) was synthesized and characterized by spectroscopic techniques. New complexes of Re and Ru of formulae: [Re(BBDB)(CO)3(Cl)], [(CH3CN)(CO)3Re(l-BBDB)Re-(CO)3(CH3CN)]2+, [(bpy)2Ru-(l-BBDB)Ru(bpy)2]4+, [(NH3)4Ru(l-BBDB)?Ru(NH3)4]4+ (bpy = 2,20-bipyridine) and complexes of Ru with 4-Me-40-CO2H-bpy (=4-methyl-40-carboxylic acid-2,20-bipyridine) - the hydrolyzed derivative of BBDB- of formulae: [(Ru(4-Me-40-CO2H-bpy)(bpy)2]2+ and [Ru(4-Me-40-CO2H-bpy)(CN)4]2 were prepared and characterized by spectroscopic, electrochemical and computational techniques. The disclosed enhanced electronic coupling in the mixed-valent complex with ruthenium ammines can be explained by the electronic delocalization imposed by the -C=N-N=C- backbone. DFT and TD-DFT calculations can predict the optical properties and electronic structures of the reported complexes and comparisons with calculations performed on previously reported complexes with 4-pyridinaldazine can account for their photophysical behaviour.
Fil: Cattaneo, Mauricio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Fil: Vergara, Monica Mercedes. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Fil: Garcia Posse, Monica E.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Fil: Fagalde, Florencia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Fil: Parella, Teodor. Universitat Autonoma de Barcelona; España
Fil: Katz, Néstor Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Materia
Diazabutadiene
Mo Calculations
Rhenium
Ruthenium
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
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oai:ri.conicet.gov.ar:11336/6876
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/6876
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivativesCattaneo, MauricioVergara, Monica MercedesGarcia Posse, Monica E.Fagalde, FlorenciaParella, TeodorKatz, Néstor EduardoDiazabutadieneMo CalculationsRheniumRutheniumhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The novel tetradentate ligand 1,4-bis(4-(40-methyl)-2,20-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) was synthesized and characterized by spectroscopic techniques. New complexes of Re and Ru of formulae: [Re(BBDB)(CO)3(Cl)], [(CH3CN)(CO)3Re(l-BBDB)Re-(CO)3(CH3CN)]2+, [(bpy)2Ru-(l-BBDB)Ru(bpy)2]4+, [(NH3)4Ru(l-BBDB)?Ru(NH3)4]4+ (bpy = 2,20-bipyridine) and complexes of Ru with 4-Me-40-CO2H-bpy (=4-methyl-40-carboxylic acid-2,20-bipyridine) - the hydrolyzed derivative of BBDB- of formulae: [(Ru(4-Me-40-CO2H-bpy)(bpy)2]2+ and [Ru(4-Me-40-CO2H-bpy)(CN)4]2 were prepared and characterized by spectroscopic, electrochemical and computational techniques. The disclosed enhanced electronic coupling in the mixed-valent complex with ruthenium ammines can be explained by the electronic delocalization imposed by the -C=N-N=C- backbone. DFT and TD-DFT calculations can predict the optical properties and electronic structures of the reported complexes and comparisons with calculations performed on previously reported complexes with 4-pyridinaldazine can account for their photophysical behaviour.Fil: Cattaneo, Mauricio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; ArgentinaFil: Vergara, Monica Mercedes. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; ArgentinaFil: Garcia Posse, Monica E.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; ArgentinaFil: Fagalde, Florencia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; ArgentinaFil: Parella, Teodor. Universitat Autonoma de Barcelona; EspañaFil: Katz, Néstor Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; ArgentinaElsevier2014-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/6876Cattaneo, Mauricio; Vergara, Monica Mercedes; Garcia Posse, Monica E.; Fagalde, Florencia; Parella, Teodor; et al.; Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives; Elsevier; Polyhedron; 70; 3-2014; 20-280277-5387enginfo:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/altIdentifier/doi/10.1016/j.poly.2013.12.018info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0277538713008280info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:57:04Zoai:ri.conicet.gov.ar:11336/6876instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-15 14:57:05.217CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives
title Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives
spellingShingle Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives
Cattaneo, Mauricio
Diazabutadiene
Mo Calculations
Rhenium
Ruthenium
title_short Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives
title_full Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives
title_fullStr Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives
title_full_unstemmed Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives
title_sort Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives
dc.creator.none.fl_str_mv Cattaneo, Mauricio
Vergara, Monica Mercedes
Garcia Posse, Monica E.
Fagalde, Florencia
Parella, Teodor
Katz, Néstor Eduardo
author Cattaneo, Mauricio
author_facet Cattaneo, Mauricio
Vergara, Monica Mercedes
Garcia Posse, Monica E.
Fagalde, Florencia
Parella, Teodor
Katz, Néstor Eduardo
author_role author
author2 Vergara, Monica Mercedes
Garcia Posse, Monica E.
Fagalde, Florencia
Parella, Teodor
Katz, Néstor Eduardo
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Diazabutadiene
Mo Calculations
Rhenium
Ruthenium
topic Diazabutadiene
Mo Calculations
Rhenium
Ruthenium
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The novel tetradentate ligand 1,4-bis(4-(40-methyl)-2,20-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) was synthesized and characterized by spectroscopic techniques. New complexes of Re and Ru of formulae: [Re(BBDB)(CO)3(Cl)], [(CH3CN)(CO)3Re(l-BBDB)Re-(CO)3(CH3CN)]2+, [(bpy)2Ru-(l-BBDB)Ru(bpy)2]4+, [(NH3)4Ru(l-BBDB)?Ru(NH3)4]4+ (bpy = 2,20-bipyridine) and complexes of Ru with 4-Me-40-CO2H-bpy (=4-methyl-40-carboxylic acid-2,20-bipyridine) - the hydrolyzed derivative of BBDB- of formulae: [(Ru(4-Me-40-CO2H-bpy)(bpy)2]2+ and [Ru(4-Me-40-CO2H-bpy)(CN)4]2 were prepared and characterized by spectroscopic, electrochemical and computational techniques. The disclosed enhanced electronic coupling in the mixed-valent complex with ruthenium ammines can be explained by the electronic delocalization imposed by the -C=N-N=C- backbone. DFT and TD-DFT calculations can predict the optical properties and electronic structures of the reported complexes and comparisons with calculations performed on previously reported complexes with 4-pyridinaldazine can account for their photophysical behaviour.
Fil: Cattaneo, Mauricio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Fil: Vergara, Monica Mercedes. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Fil: Garcia Posse, Monica E.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Fil: Fagalde, Florencia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
Fil: Parella, Teodor. Universitat Autonoma de Barcelona; España
Fil: Katz, Néstor Eduardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Tucumán. Instituto de Quimica del Noroeste; Argentina. Universidad Nacional de Tucumán; Argentina
description The novel tetradentate ligand 1,4-bis(4-(40-methyl)-2,20-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) was synthesized and characterized by spectroscopic techniques. New complexes of Re and Ru of formulae: [Re(BBDB)(CO)3(Cl)], [(CH3CN)(CO)3Re(l-BBDB)Re-(CO)3(CH3CN)]2+, [(bpy)2Ru-(l-BBDB)Ru(bpy)2]4+, [(NH3)4Ru(l-BBDB)?Ru(NH3)4]4+ (bpy = 2,20-bipyridine) and complexes of Ru with 4-Me-40-CO2H-bpy (=4-methyl-40-carboxylic acid-2,20-bipyridine) - the hydrolyzed derivative of BBDB- of formulae: [(Ru(4-Me-40-CO2H-bpy)(bpy)2]2+ and [Ru(4-Me-40-CO2H-bpy)(CN)4]2 were prepared and characterized by spectroscopic, electrochemical and computational techniques. The disclosed enhanced electronic coupling in the mixed-valent complex with ruthenium ammines can be explained by the electronic delocalization imposed by the -C=N-N=C- backbone. DFT and TD-DFT calculations can predict the optical properties and electronic structures of the reported complexes and comparisons with calculations performed on previously reported complexes with 4-pyridinaldazine can account for their photophysical behaviour.
publishDate 2014
dc.date.none.fl_str_mv 2014-03
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/6876
Cattaneo, Mauricio; Vergara, Monica Mercedes; Garcia Posse, Monica E.; Fagalde, Florencia; Parella, Teodor; et al.; Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives; Elsevier; Polyhedron; 70; 3-2014; 20-28
0277-5387
url http://hdl.handle.net/11336/6876
identifier_str_mv Cattaneo, Mauricio; Vergara, Monica Mercedes; Garcia Posse, Monica E.; Fagalde, Florencia; Parella, Teodor; et al.; Spectroscopic, electrochemical and computational studies of rhenium(I) and ruthenium(II) complexes incorporating the novel tetradentate ligand 1,4-bis(4-(4'-methyl)-2,2'-bipyridyl)-2,3-diaza-1,3-butadiene (BBDB) and its derivatives; Elsevier; Polyhedron; 70; 3-2014; 20-28
0277-5387
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.poly.2013.12.018
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0277538713008280
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.22299

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