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http://hdl.handle.net/10261/181053
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Campo DC | Valor | Lengua/Idioma |
---|---|---|
dc.contributor.author | Baya, Miguel | es_ES |
dc.contributor.author | Pérez-Bitrián, Alberto | es_ES |
dc.contributor.author | Martínez-Salvador, Sonia | es_ES |
dc.contributor.author | Martín, Antonio | es_ES |
dc.contributor.author | Casals, J. M. | es_ES |
dc.contributor.author | Menjón, Babil | es_ES |
dc.contributor.author | Orduna, Jesús | es_ES |
dc.date.accessioned | 2019-05-08T07:43:46Z | - |
dc.date.available | 2019-05-08T07:43:46Z | - |
dc.date.issued | 2018 | - |
dc.identifier.issn | 0947-6539 | - |
dc.identifier.uri | http://hdl.handle.net/10261/181053 | - |
dc.description.abstract | The mononuclear gold(II) halide complexes [AuCl3 ]- and [AuBr3 ]- are formed in the gas phase by collision-induced homolytic splitting of the only Au-C bond in the monoalkylgold(III) precursors [CF3 AuX3 ]- . The geometries of the whole series of [AuX3 ]- complexes (X=F, Cl, Br, I) have been calculated by DFT methods. It has also been found that the neutral AuX2 molecules behave as unsaturated species, showing significant affinity for an additional X- ligand. Moreover, in the open-shell [AuX3 ]- anions, homolytic splitting of one of the Au-X bonds and formation of the lower-valent [AuX2 ]- anions is favored over non-reducing halide dissociation. They should therefore be prone to disproportionation. | es_ES |
dc.description.sponsorship | This work was supported by the Spanish MINECO/FEDER (Project CTQ2015-67461-P) and the Gobierno de Aragjn and Fondo Social Europeo (Grupo Consolidado E21: Qu&mica 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 greatfully aknowledged 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.iso | eng | es_ES |
dc.publisher | Wiley-VCH | es_ES |
dc.relation | info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015-67461-P | es_ES |
dc.rights | closedAccess | es_ES |
dc.title | Gold(II) trihalide complexes from organogold(III) precursors | es_ES |
dc.type | artículo | es_ES |
dc.identifier.doi | 10.1002/chem.201705509 | - |
dc.description.peerreviewed | Peer reviewed | es_ES |
dc.relation.publisherversion | https://doi.org/10.1002/chem.201705509 | es_ES |
dc.identifier.e-issn | 1521-3765 | - |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | es_ES |
dc.contributor.funder | European Commission | es_ES |
dc.contributor.funder | Ministerio de Educación, Cultura y Deporte (España) | es_ES |
dc.relation.csic | Sí | es_ES |
oprm.item.hasRevision | no ko 0 false | * |
dc.identifier.funder | http://dx.doi.org/10.13039/501100000780 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003176 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.identifier.pmid | 29271511 | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.grantfulltext | none | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | No Fulltext | - |
item.languageiso639-1 | en | - |
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