Topological analysis of the metal-metal bond: A tutorial review

This contribution explains how the topological methods of analysis of the electron density and related functions such as the electron localization function (ELF) and the electron localizability indicator (ELI-D) enable the theoretical characterization of various metal-metal (MM) bonds (multiple MM bonds, dative MM bonds). Examples are taken in both bulk metals, alloys and molecular complexes. Metallic bonds as well as weak partially covalent MM interactions , are described and characterized unambiguously combining AIM (atoms in molecules) and ELF/ELI-D topological analysis.

Mots clés

Electron Localization Function Topological Analysis Quantum Theory of Atoms in Molecules Electron Density Chemical Bonding Electron localizability indicator Source Function Metal-metal bond

Domaines

Chimie théorique et/ou physique Chimie de coordination

Fichier principal

Lepetit_2017_Topological.pdf (3.29 Mo)

Origine : Fichiers produits par l'(les) auteur(s)

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https://hal.sorbonne-universite.fr/hal-01540328

Soumis le : vendredi 16 juin 2017-11:14:41

Dernière modification le : jeudi 11 avril 2024-13:08:11

Archivage à long terme le : mercredi 13 décembre 2017-16:27:35

Dates et versions

hal-01540328 , version 1 (16-06-2017)

Identifiants

HAL Id : hal-01540328 , version 1
DOI : 10.1016/j.ccr.2017.04.009

Citer

Christine Lepetit, Pierre Fau, Katia Fajerwerg, Myrtil L. Kahn, Bernard Silvi. Topological analysis of the metal-metal bond: A tutorial review. Coordination Chemistry Reviews, 2017, 345, pp.150-181. ⟨10.1016/j.ccr.2017.04.009⟩. ⟨hal-01540328⟩

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