Theoretical study of the closed-shell d10-d10 Au(I)-Cu(I) attraction in complexes in extended unsupported chains

dc.creatorRodríguez Castillo, María
dc.creatorMonge, Miguel
dc.creatorLópez de Luzuriaga, José M.
dc.creatorOlmos, M. Elena
dc.creatorLaguna, Antonio
dc.creatorMendizábal Emaldía, Fernando
dc.date.accessioned2018-12-20T14:13:14Z
dc.date.available2018-12-20T14:13:14Z
dc.date.created2018-12-20T14:13:14Z
dc.date.issued2011
dc.identifierComputational and Theoretical Chemistry, Volumen 965, Issue 1, 2018, Pages 163-167
dc.identifier2210271X
dc.identifier10.1016/j.comptc.2011.01.040
dc.identifierhttps://repositorio.uchile.cl/handle/2250/154923
dc.description.abstractModel compounds are used to study the metallophilic attraction between gold and copper atoms. Ab initio calculations on dimers and tetramers in different distributions of the simplified units are analyzed. An attraction is found for all models and there is a reasonable agreement between the experimental and theoretical geometries. © 2011 Elsevier B.V.
dc.languageen
dc.publisherElsevier B.V.
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Chile
dc.sourceComputational and Theoretical Chemistry
dc.subjectGold(I) Copper(I)
dc.subjectMetallophilic interaction
dc.titleTheoretical study of the closed-shell d10-d10 Au(I)-Cu(I) attraction in complexes in extended unsupported chains
dc.typeArtículo de revista


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