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dc.contributor.authorPérez-Bitrián, Albertoes_ES
dc.contributor.authorBaya, Migueles_ES
dc.contributor.authorCasas, José M.es_ES
dc.contributor.authorFalvello, Larry R.es_ES
dc.contributor.authorMartín, Antonioes_ES
dc.contributor.authorMenjón, Babiles_ES
dc.date.accessioned2019-05-20T11:40:38Z-
dc.date.available2019-05-20T11:40:38Z-
dc.date.issued2017-
dc.identifier.citationChemistry - A European Journal 23(59): 14918-14930 (2017)es_ES
dc.identifier.issn0947-6539-
dc.identifier.urihttp://hdl.handle.net/10261/181778-
dc.description.abstractThe Lewis acidity of perfluorinated trimethylgold (CF3)3Au was assessed by theoretical and experimental methods. It was found that the (CF3)3Au unit is much more acidic than its nonfluorinated analogue (CH3)3Au, and probably sets the upper limit of the acidity scale for neutral organogold(III) species R3Au. The significant acidity increase on fluorination is in line with the CF3 group being more electron‐withdrawing than CH3. The solvate (CF3)3Au⋅OEt2 (1) is presented as a convenient synthon of the unsaturated, 14‐electron species (CF3)3Au. Thus, the weakly coordinated ether molecule in 1 is readily replaced by a variety of neutral ligands (L) to afford a wide range of (CF3)3Au⋅L compounds, which were isolated and characterized. Most of these mononuclear compounds exhibit marked thermal stability. This enhanced stabilization can be rationalized in terms of substantially stronger [Au]−L interactions with the (CF3)3Au unit. An affinity scale of this single‐site, highly acidic organogold(III) fragment was calculated by DFT methods and experimentally mapped for various neutral monodentate ligands. The high‐energy profile calculated for the fluorotropic [Au]−CF3⇌F−[Au]←CF2 process makes this potential decomposition path unfavorable and adds to the general stabilization of the fragment.es_ES
dc.description.sponsorshipThis work was supported by the Spanish MINECO/FEDER (Projects CTQ2015-67461-P and MAT2015-68200-C2-1-P) and the Gobierno de Aragon and Fondo Social Europeo (Grupo Consolidado E21: Quimica Inorganica y de los Compuestos Organometalicos). The Instituto de Biocomputacion y Fisica de Sistemas Complejos (BIFI) and the Centro de Supercomputacion de Galicia (CESGA) are gratefully acknowledged for generous allocation of computational resources. A.P.-B. thanks the Spanish Ministerio de Educacion, Cultura y Deporte for a grant (FPU15/ 03940).es_ES
dc.language.isoenges_ES
dc.publisherWiley-VCHes_ES
dc.relationinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/MAT2015-68200-C2-1-Pes_ES
dc.relationinfo:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015-67461-Pes_ES
dc.relation.isversionofPostprint-
dc.rightsopenAccesses_ES
dc.subjectFluorinated ligandses_ES
dc.subjectGoldes_ES
dc.subjectLewis acidses_ES
dc.subjectLigand affinityes_ES
dc.title(CF3 )3Au as a highly acidic organogold(III) fragmentes_ES
dc.typeartículoes_ES
dc.identifier.doi10.1002/chem.201703352-
dc.description.peerreviewedPeer reviewedes_ES
dc.relation.publisherversionhttps://doi.org/10.1002/chem.201703352es_ES
dc.identifier.e-issn1521-3765-
dc.contributor.funderMinisterio de Economía y Competitividad (España)es_ES
dc.contributor.funderEuropean Commissiones_ES
dc.contributor.funderGobierno de Aragónes_ES
dc.contributor.funderMinisterio de Educación, Cultura y Deporte (España)es_ES
dc.contributor.funderCentro de Supercomputación de Galiciaes_ES
dc.relation.csices_ES
oprm.item.hasRevisionno ko 0 false*
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003329es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100010067es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100000780es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003176es_ES
dc.identifier.pmid28800187-
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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