The coordination of azepine to transition-metal complexes: A DFT analysis - Université de Rennes Accéder directement au contenu
Article Dans Une Revue Inorganica Chimica Acta Année : 2009

The coordination of azepine to transition-metal complexes: A DFT analysis

Résumé

DFT calculations with full geometry optimizations have been carried out on a series of real and hypothetical compounds of the CpM(C6NH7) and (CO)3M(C6NH7) (M = transition-metal) type. A rationalization of the bonding in all the known compounds and in hypothetical complexes is provided. Depending on the electron count and the nature of the metal, the azepine ligand can bind to the metal through the η1, η2, η4, η6, or η7 coordination mode.

Dates et versions

hal-00861391 , version 1 (12-09-2013)

Identifiants

Citer

Sara Farah, Hanane Korichi, Saber-Mustapha Zendaoui, Jean-Yves Saillard, Bachir Zouchoune. The coordination of azepine to transition-metal complexes: A DFT analysis. Inorganica Chimica Acta, 2009, 362 (10), pp.3541-3546. ⟨10.1016/j.ica.2009.03.042⟩. ⟨hal-00861391⟩
66 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More