title: A T-shaped three-coordinate nickel(I) carbonyl complex and the geometric preferences of three-coordinate d9 complexes.
abstract: A three-coordinate diketiminate-nickel(I) complex with a carbonyl ligand has been characterized using EPR and IR spectroscopies and X-ray crystallography. The T geometry (bending from the sterically favored C(2)(v)() structure) contrasts with that of isosteric d(9) copper(II) complexes. DFT calculations on a truncated model reproduce experimental geometries, implying that the geometric differences are electronic in nature. Analysis of the charge distribution in the complexes shows that the geometry of the three-coordinate d(9) complexes is affected by differential charge donation of the ligands to the metal center.
authors.affiliation: Department of Chemistry, University of Rochester, New York 14267, USA.
authors.forename: Nathan A
authors.initials: NA
authors.lastname: Eckert
authors.forename: Adriana
authors.initials: A
authors.lastname: Dinescu
authors.forename: Thomas R
authors.initials: TR
authors.lastname: Cundari
authors.forename: Patrick L
authors.initials: PL
authors.lastname: Holland