A favorable case where an experimental electron density analysis offers a lead for understanding a specific fluxional process observed in solution

Yannick Ortin; Noël Lugan; Sébastien Pillet; Mohammed Souhassou; Claude Lecomte; Karine Costuas; Jean-Yves Saillard

doi:10.1021/ic051239p

A favorable case where an experimental electron density analysis offers a lead for understanding a specific fluxional process observed in solution

Inorg Chem. 2005 Dec 26;44(26):9607-9. doi: 10.1021/ic051239p.

Authors

Yannick Ortin¹, Noël Lugan, Sébastien Pillet, Mohammed Souhassou, Claude Lecomte, Karine Costuas, Jean-Yves Saillard

Affiliation

¹ Laboratoire de Chimie de Cordination du CNRS, 205 route de Narbonne, 31077 Toulouse Cedex 4, France.

PMID: 16363820
DOI: 10.1021/ic051239p

Abstract

A topological analysis of the electron density in the ketene complex (eta(5)-MeC(5)H(4))(CO)(2)Mn[eta(2)-O=C=C((mu-eta(2)-CCPh)Co(2)(CO)(6))Ph] indicates a predisposition for the carbene component of the ketene ligand to bind the neighboring C atom of the adjacent CO ligand.