title: A new simplifying approach to molecular geometry description: the vectorial bond-valence model.
abstract: A method to describe, analyze and even predict the coordination geometries of metal complexes is proposed, based on previous well established concepts such as bond valence and valence-shell electron-pair repulsion (VSEPR). The idea behind the method is the generalization of the scalar bond-valence concept into a vector quantity, the bond-valence vector (BVV), with the innovation that the multidentate ligands are represented by their resultant BVVs. Complex n-ligand coordination spheres (frequently indescribable at the atomic level) reduce to much simpler ones when analyzed in BVV space, with the bonus of a better applicability of the VSEPR predictions. The geometrical implications of the BVV description are analyzed for the cases of n=2 and 3 (n=number of ligands), and the validity of its predictions, checked for a large number of metal complexes.
authors.affiliation: Universidad Nacional de la Patagonia, Sede Trelew, and CENPAT, CONICET, Puerto Madryn, Chubut, Argentina. unharvey@cenpat.edu.ar
authors.forename: Miguel Angel
authors.initials: MA
authors.lastname: Harvey
authors.forename: Sergio
authors.initials: S
authors.lastname: Baggio
authors.forename: Ricardo
authors.initials: R
authors.lastname: Baggio