title: Homoleptic lanthanide complexes of chelating phosphanamides-an experimental and theoretical study.
abstract: Four chelating ligands are present in the first phosphanamide complexes of Group 3 metals and the lanthanides (see structure shown). However, these ligands coordinate to form a distorted molecular structure. The compounds were characterized by single-crystal X-ray structure analysis and quantum-mechanical investigations with density functional theory and MP2 methods.
authors.affiliation: Institut für Anorganische Chemie der Universität, Engesserstrasse Geb. 30.45, D-76128 Karlsruhe, Germany, Fax: (+49) 721-661921.
authors.forename: T G
authors.initials: TG
authors.lastname: Wetzel
authors.forename: S
authors.initials: S
authors.lastname: Dehnen
authors.forename: P W
authors.initials: PW
authors.lastname: Roesky
keywords: Ab initio calculations; Chelates; Density functional calculations; Lanthanides; Phosphanamides