title: A comparative study of the topology of the experimental electron density within 2 and 4e- donor alkyne complexes.
abstract: A comparison of the topology of the experimental electron density, as revealed by high resolution X-ray diffraction, is provided for two prototypal transition metal alkyne complexes where the alkyne formally behaves as a 2 or 4e(-) donor. A higher value of the electron density ρ(r)(bcp) at the M(T)···C bond critical point (bcp), a lower value of ρ(r)(bcp) at the coordinated C≡C bcp, outwardly bent MC bond paths and a close to zero ellipticity for the C[triple bond, length as m-dash]C bond constitute the topological signature of a 4e(-) donor alkyne ligand.
authors.affiliation: Laboratoire Cristallographie, Résonance Magnétique et Modélisations, UMR CNRS 7036, Faculté des Sciences et Technologies, Université de Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy CEDEX, France.
authors.forename: Hanne
authors.initials: H
authors.lastname: Nuss
authors.forename: Nicolas
authors.initials: N
authors.lastname: Claiser
authors.forename: Sébastien
authors.initials: S
authors.lastname: Pillet
authors.forename: Noël
authors.initials: N
authors.lastname: Lugan
authors.forename: Emmanuelle
authors.initials: E
authors.lastname: Despagnet-Ayoub
authors.forename: Michel
authors.initials: M
authors.lastname: Etienne
authors.forename: Claude
authors.initials: C
authors.lastname: Lecomte