Plois, Markus and Wolf, Robert and Hujo, Waldemar and Grimme, Stefan (2013) Towards Reagents for Bimetallic Activation Reactions: Polyhydride Complexes with Ru2H3, Ru2ZnH6, and Cu2Ru2H6 Cores. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (17). pp. 3039-3048. ISSN 1434-1948, 1099-0682
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The utility of the fac-[RuH3(PR3)3]- anion (R = Ph, C6H4-4-Me) for the preparation of new oligonuclear transition metal polyhydrides has been examined. The lithium salts [Li(thf)x{Ru(-H)3(PPh3)3}] {1: R = Ph, x = 3; 1: R = C6H4-4-Me (Tol), x = 2.5} react with [Cp*RuCl]4 (Cp* = C5Me5), ZnCl2, and CuCl(SMe2) to form new oligonuclear polyhydrido complexes. The compounds [Cp*Ru(-H)3Ru(PR3)3] (2: R = Ph, 2: R = Tol), [Zn{Ru(-H)3(PPh3)3}2] (3), and [Cu2{Ru(-H)3(PPh3)3}2] (4) were synthesized and characterized by multinuclear NMR and IR spectroscopy, and microanalysis. The molecular structures were determined by X-ray crystallography. Density functional theory calculations at the PBE-D3/def2-TZVP level support the proposed structures of the new polyhydride complexes. The impact of intramolecular London dispersion interactions on the optimized geometries is discussed.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | HETERONUCLEAR CLUSTER CHEMISTRY; C BOND-CLEAVAGE; TRINUCLEAR PENTAHYDRIDE COMPLEX; METAL-METAL BONDS; GROUP IB METALS; X-RAY-STRUCTURE; DYNAMIC-BEHAVIOR; STRUCTURAL-CHARACTERIZATION; HYDROCARBYL LIGANDS; COPPER(I) COMPLEXES; Ruthenium; Copper; Zinc; Hydride clusters; Density functional calculations |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Prof. Dr. Robert Wolf |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 08 Apr 2020 08:38 |
| Last Modified: | 08 Apr 2020 08:38 |
| URI: | https://pred.uni-regensburg.de/id/eprint/16573 |
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