Synthesis, characterization and theoretical studies of ruthenium(II) complexes with the quinone functionalized polypyridine ligand, Nqphen

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datacite.alternateIdentifier.citationPolyhedron, 39 (1), 65-59, 2012
datacite.alternateIdentifier.doi10.1016/j.poly.2012.03.020
datacite.alternateIdentifier.issn0277-5387
datacite.creatorDiaz, Ramiro
datacite.creatorFrancois, Angelica
datacite.creatorBarrera, Mauricio
datacite.creatorLoeb, Barbara
datacite.date2012
datacite.rightsRegistro bibliográfico
datacite.subjectAcceptor ligand
datacite.subjectQuinone
datacite.subjectRuthenium complexes
datacite.subjectTDDFT study
datacite.titleSynthesis, characterization and theoretical studies of ruthenium(II) complexes with the quinone functionalized polypyridine ligand, Nqphen
dc.description.abstractThe synthesis, spectral characterization. electrochemical properties and TDDFT theoretical study of the complexes [Ru(dmbpy)(2)(Nqphen)](PF6)(2) (2a) and [Ru(tmbpy)(2)(Nqphen)](PF6)(2) (2b) is reported. Nqphen is the quinone substituted acceptor ligand [3,2-a:2',3'-c]-benzo[3,4]-phenazine-11,16-quinone, dmbpy is 4,4'-dimethyl-2,2'-bipyridine and tmbpy is 4,4',5,5'-tetramethyl-2,2'-bipyridine. No major difference is observed in the spectroscopic and electrochemical properties of the complexes, reflecting that the presence of the electron withdrawing Nqphen ligand governs their behavior. Molecular orbital calculations show that the LUMO is centered on the quinonic fragment of Nqphen, while the HOMO orbital has mainly a metal character. The calculations results at TDFT level were consistent with the experimental data, and permitted their detailed interpretation. (C) 2012 Elsevier Ltd. All rights reserved.
dc.description.ia_keywordnqphen, complexes, quinone, ligand, synthesis, characterization, electrochemical
dc.identifier.urihttps://repositoriodigital.uct.cl/handle/10925/3057
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd
dc.relationinstname: ANID
dc.relationreponame: Repositorio Digital RI2.0
dc.rights.driverinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.sourcePolyhedron
dc.subject.ia_oecd1nCiencias Naturales
dc.subject.ia_oecd2nCiencias Biológicas
dc.subject.ia_oecd3nBiología General
dc.type.driverinfo:eu-repo/semantics/article
dc.type.driverhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.type.openaireinfo:eu-repo/semantics/publishedVersion
dspace.entity.typePublication
oaire.citationEdition2012
oaire.citationEndPage65
oaire.citationIssue1
oaire.citationStartPage59
oaire.citationTitlePolyhedron
oaire.citationVolume39
oaire.fundingReferenceANID FONDECYT 1070799, 1110991 (Regular)
oaire.licenseConditionCopyright © Elsevier Ltd, 2012
oaire.resourceTypeArtículo
oaire.resourceType.enArticle
uct.catalogadorjvu
uct.comunidadRecursos Naturalesen_US
uct.departamentoDepartamento de Ciencias Ambientales
uct.departamentoDepartamento de Ciencias Biológicas y Químicas
uct.facultadFacultad de Recursos Naturales
uct.indizacionScience Citation Index Expanded - SCIE
uct.indizacionScopus
uct.indizacionChemical Abstracts Service (CAS)
uct.indizacionCurrent Contents/Physical, Chemical & Earth Sciences
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