Show simple item record

dc.creatorRabanal-León, Walter A
dc.creatorVásquez-Espinal, Alejandro
dc.creatorYañez, Osvaldo
dc.creatorPino-Rios, Ricardo
dc.creatorArratia-Pérez, Ramiro
dc.creatorAlvarez-Thon, Luis
dc.creatorTorres-Vega, Juan J
dc.creatorTiznado, William
dc.date.accessioned2021-08-23T22:49:47Z
dc.date.available2021-08-23T22:49:47Z
dc.date.issued2018
dc.identifier.urihttp://hdl.handle.net/10533/250458
dc.description.abstractWe present new evidence that supports the aromatic character of the clusters of formula: [M-3(mu-X)3X6](0/2-) (M = Re and Tc, X = Cl, Br, I). Our computations clearly show that these clusters present a special response to an applied external magnetic field, which is characteristic of aromatic systems. Both analyzed response properties, the magnetically induced current density and the induced magnetic field, agree that the magnetic perturbation induces two concentric diatropic ring currents: the inner one inside the M-3 core and the outer one around the M-3(mu-X)3 triangle. The flow strength of these two ring currents is significant, confirming the high diatropicity of these clusters. In the dianionic species, aromaticity is increased, mainly by an increment of the diatropicity of the inner ring current. These findings support a chemical bonding pattern with delocalized M-M bonds in these species.
dc.language.isoeng
dc.relation.urihttps://doi.org/10.1002/ejic.201800339
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 Chile
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.titleAromaticity of [M-3(mu-X)(3)X-6](0/2-) (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field
dc.typeArticulo
dc.description.conicytinstrumentRegular 2015
dc.identifier.folio1150629
dc.description.conicytprogramFONDECYT
dc.relation.contesthandle/10533/111557
dc.rights.driverinfo:eu-repo/semantics/article
dc.rights.driverinfo:eu-repo/semantics/openAccess
dc.title.journalEUROPEAN JOURNAL OF INORGANIC CHEMISTRY
dc.relation.instrumenthandle/10533/111541
dc.relation.programhandle/10533/108045
dc.description.shortconicytprogramFONDECYT
dc.type.openaireinfo:eu-repo/semantics/publishedVersion


Files in this item

FilesSizeFormatView

There are no files associated with this item

This item appears in the following Collection(s)

Show simple item record