Artículos de revistas
The Nature Of The Chemical Bond In Di- And Polynuclear Metal Cluster Complexes As Depicted By The Analysis Of The Electron Localization Function
Registro en:
Comptes Rendus Chimie. , v. 8, n. 9-10 SPEC. ISS., p. 1400 - 1412, 2005.
16310748
10.1016/j.crci.2004.12.014
2-s2.0-26944465735
Autor
Andres J.
Berski S.
Feliz M.
Llusar R.
Sensato F.
Silvi B.
Institución
Resumen
The 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. 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