title: Metal-metal bonding in sterically frustrated dipalladium species.
abstract: Stoichiometric-deficient lithiation of (2,6-diisopropylphenyl)(4-methylpyridin-2-yl)amine and reaction with [(cod)PdCl2] (cod = 1,5-cyclooctadiene) yield a dimeric Pd complex. X-ray structural analysis of this complex reveals a very short Pd-Pd distance (2.429 A). Topological analysis of the electron density and the electron localization function from scalar relativistic density functional theory calculations clearly indicate a Pd(I)-Pd(I) sigma-bonding interaction, for which the corresponding occupied localized orbital can be identified.
authors.affiliation: Lehrstuhl Anorganische Chemie II, Universität Bayreuth, 95440 Bayreuth, Germany.
authors.forename: Stefan
authors.initials: S
authors.lastname: Deeken
authors.forename: Günter
authors.initials: G
authors.lastname: Motz
authors.forename: Viktor
authors.initials: V
authors.lastname: Bezugly
authors.forename: Horst
authors.initials: H
authors.lastname: Borrmann
authors.forename: Frank R
authors.initials: FR
authors.lastname: Wagner
authors.forename: Rhett
authors.initials: R
authors.lastname: Kempe