title: Anhydrous mono- and dinuclear tris(quinolinolate) complexes of scandium: the missing structures of rare earth metal 8-quinolinolates.
abstract: The first monomeric anhydrous scandium tris(8-quinolinolate) complex 1 with the 2-amino-8-quinolinolate ligands and the Sc(2)Q(6) dinuclear complex 2 with the unsubstituted 8-quinolinolate ligands have been synthesized and characterized by X-ray analysis and DFT calculations. The intramolecular hydrogen bonds appear to be responsible for the unique monomeric structure of complex 1. The DFT-based analysis of the electron density topology reveals the (3,-1) critical points corresponding to the O···H and N···H bonds. The two scandium atoms in compound 2 are inequivalent due to different ligand surroundings. They are coordinated by seven (5O, 2N) and eight (4O, 4N) ligand atoms. The increase in the coordination number is accompanied by a decrease in the positive charge of the metal atom as evidenced by the DFT calculations.
authors.affiliation: G.A. Razuvaev Institute of Organometallic Chemistry RAS, Tropinina 49, Nizhny Novgorod, 603950, Russia. marina@iomc.ras.ru
authors.forename: Marina A
authors.initials: MA
authors.lastname: Katkova
authors.forename: Tatyana V
authors.initials: TV
authors.lastname: Balashova
authors.forename: Anatoly P
authors.initials: AP
authors.lastname: Pushkarev
authors.forename: Igor Yu
authors.initials: IY
authors.lastname: Ilyin
authors.forename: Georgy K
authors.initials: GK
authors.lastname: Fukin
authors.forename: Evgeny V
authors.initials: EV
authors.lastname: Baranov
authors.forename: Sergey Yu
authors.initials: SY
authors.lastname: Ketkov
authors.forename: Mikhail N
authors.initials: MN
authors.lastname: Bochkarev