Show simple item record

dc.creatorVásquez-Espinal, Alejandro
dc.creatorPino-Rios, Ricardo
dc.creatorAlvarez-Thon, Luis
dc.creatorRabanal-León, Walter A
dc.creatorTorres-Vega, Juan J
dc.creatorArratia-Pérez, Ramiro
dc.creatorTiznado, William
dc.date.accessioned2021-08-23T22:49:51Z
dc.date.available2021-08-23T22:49:51Z
dc.date.issued2015
dc.identifier.urihttp://hdl.handle.net/10533/250490
dc.description.abstractWe have theoretically evaluated the behavior of the Re-3(mu-Cl)(3)Cl-6 cluster under magnetic perturbation, and it clearly shows that the magnetic response within the Re-3(mu-Cl)(3) plane is highly diatropic in nature. An analysis of both the magnetically induced current density (MICD) and induced magnetic field (B-ind) allows us to classify this cluster as doubly sigma- and also pi-aromatic on the magnetic criterion. These findings contradict the classical Re-Re double bond representation and favor a chemical bonding pattern that involves delocalized bonds.
dc.language.isoeng
dc.relation.urihttps://doi.org/10.1021/acs.jpclett.5b01816
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 Chile
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.titleNew Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity
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.journalJOURNAL OF PHYSICAL CHEMISTRY LETTERS
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