The Nature Of The Chemical Bond In Di- And Polynuclear Metal Cluster Complexes As Depicted By The Analysis Of The Electron Localization Function

dc.creatorAndres J.
dc.creatorBerski S.
dc.creatorFeliz M.
dc.creatorLlusar R.
dc.creatorSensato F.
dc.creatorSilvi B.
dc.date2005
dc.date2015-06-26T14:09:06Z
dc.date2015-11-26T14:08:57Z
dc.date2015-06-26T14:09:06Z
dc.date2015-11-26T14:08:57Z
dc.date.accessioned2018-03-28T21:09:31Z
dc.date.available2018-03-28T21:09:31Z
dc.identifier
dc.identifierComptes Rendus Chimie. , v. 8, n. 9-10 SPEC. ISS., p. 1400 - 1412, 2005.
dc.identifier16310748
dc.identifier10.1016/j.crci.2004.12.014
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-26944465735&partnerID=40&md5=572ff0aa04a4f53d1f10ffe279a34315
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/93712
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/93712
dc.identifier2-s2.0-26944465735
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1241126
dc.descriptionThe bonding in transition metal complexes is usually rationalized based on molecular orbital schemes. Topological approaches such as the atoms in molecules (AIM) theory or the electron localization function (ELF) analysis provides an alternative interpretation of the bonding relying on a local description. These topological theories give a very convenient framework to achieve the partition of the molecular space in regions with chemical meaning such as atoms, bonds and lone pairs. In this work we review the possibility offered by ELF to investigate the bond in di- tri- and tetranuclear metal complexes containing metal-metal bond. In the case of bimetallic complexes with different nominal bond orders of formula M2(formamidinate)4, the metal-metal interaction is associated to a large electron fluctuation between the two metallic cores and interpreted in terms of simple resonance arguments. Such fluctuation between metals can not be invoked for the trinuclear Fe3(CO)12 or the incomplete cuboidal [Mo3S4(PH3)6 Cl3]4+ complexes. The metal-metal interaction in these clusters is mostly characterized by multicenter bonding as is the case for the tetranuclear heterodimetallic cubane-type complexes resulting from the insertion of Cu or Ni into the previous Mo3 S4 complex. © 2005 Académie des sciences. Published by Elsevier SAS. All rights reserved.
dc.description8
dc.description9-10 SPEC. ISS.
dc.description1400
dc.description1412
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dc.languageen
dc.publisher
dc.relationComptes Rendus Chimie
dc.rightsfechado
dc.sourceScopus
dc.titleThe Nature Of The Chemical Bond In Di- And Polynuclear Metal Cluster Complexes As Depicted By The Analysis Of The Electron Localization Function
dc.typeArtículos de revistas


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