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dc.contributor.authorBolaño, Tamaraes_ES
dc.contributor.authorEsteruelas, Miguel A.es_ES
dc.contributor.authorFernández, Israeles_ES
dc.contributor.authorOñate, Enriquees_ES
dc.contributor.authorPalacios, Adriánes_ES
dc.contributor.authorTsai, Jui-Yies_ES
dc.contributor.authorXia, Chuanjunes_ES
dc.date.accessioned2015-07-27T11:29:56Z-
dc.date.available2015-07-27T11:29:56Z-
dc.date.issued2015-02-
dc.identifier.citationOrganometallics 34(4): 778-789 (2015)es_ES
dc.identifier.issn0276-7333-
dc.identifier.urihttp://hdl.handle.net/10261/118266-
dc.description.abstractThe hexahydride complex OsH6(PiPr3)2 (1) reacts with the BF4-salts of 1-phenyl-3-methyl-1-H-benzimidazolium, 1-phenyl-3-methyl-1-H-5,6-dimethyl-benzimidazolium, and 1-phenyl-3-methyl-1-H-imidazolium to give the respective trihydride-osmium(IV) derivatives OsH3(κ2-Caryl,CNHC)(PiPr3)2 (2–4). The protonation of these compounds with HBF4·OEt2 produces the reduction of the metal center and the formation of the bis(dihydrogen)-osmium(II) complexes [Os(κ2-Caryl,CNHC)(η2-H2)2(PiPr3)2]BF4 (5–7). DFT calculations using AIM and NBO methods reveal that the Os–NHC bond of the Os-chelate link tolerates a significant π-backdonation from a doubly occupied dπ(Os) atomic orbital to the pz atomic orbital of the carbene carbon atom. The π-accepting capacity of the NHC unit of the Caryl,CNHC-chelate ligand, which is higher than those of the coordinated aryl group and phosphine ligands, enhances the electrophilicity of the metal center activating one of the coordinated hydrogen molecules of 5–7 toward the heterolysis. As a result, these compounds are strong Brønsted acids with pKawater values between 2.5 and 2.8. In acetonitrile the hydrogen molecules of 5 and 6 are displaced by the solvent, the resulting bis(solvento) compounds [Os(κ2-Caryl,CNHC)(CH3CN)2(PiPr3)2]BF4 (8, 9) react with acetylacetonate (acac) and cis-1,2-bis(diphenylsphosphino)ethylene (bdppe) to give Os(κ2-Caryl,CNHC)(acac)(bdppe) (10, 11) as a mixture of the two possible isomers, namely with P trans to the aryl group or to the NHC moiety.es_ES
dc.description.sponsorshipFinancial support from the Spanish MINECO (Projects CTQ2011-23459 and CTQ2013-44303-P), the Red de Excelencia Consolider (CTQ2014-51912-REDC), the DGA (E35), the European Social Fund (FSE) and FEDER, and Universal Display Corporation is acknowledged. T.B. thanks the Spanish MINECO for funding through the Juan de la Cierva programme.es_ES
dc.language.isoenges_ES
dc.publisherAmerican Chemical Societyes_ES
dc.relationinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2013-44303-P-
dc.relationinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2014-51912-REDC-
dc.relation.isversionofPostprintes_ES
dc.rightsopenAccessen_EN
dc.titleOsmium(II)–bis(dihydrogen) complexes containing caryl,CNHC–chelate ligands: Preparation, bonding situation, and acidityes_ES
dc.typeartículoes_ES
dc.identifier.doi10.1021/om501275c-
dc.description.peerreviewedPeer reviewedes_ES
dc.relation.publisherversionhttp://dx.doi.org/10.1021/om501275ces_ES
dc.identifier.e-issn1520-6041-
dc.embargo.terms2016-02-11es_ES
dc.contributor.funderEuropean Commissiones_ES
dc.contributor.funderDiputación General de Aragónes_ES
dc.contributor.funderMinisterio de Economía y Competitividad (España)es_ES
dc.relation.csices_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100000780es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003329es_ES
dc.type.coarhttp://purl.org/coar/resource_type/c_6501es_ES
item.openairetypeartículo-
item.cerifentitytypePublications-
item.languageiso639-1en-
item.grantfulltextopen-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextWith Fulltext-
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