Collect. Czech. Chem. Commun. 2007, 72, 679-696

Preparation and Crystal Structures of Low-Valent Zirconocene Complexes Containing Tetramethyl(phenyl)cyclopentadienyl Ligands

Michal Horáčeka,*, Jiří Pinkasa, Jiří Kubištaa, Ivana Císařováb, Róbert Gyepesb and Petr Štěpničkab

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 182 23 Prague 8, Czech Republic
b Department of Inorganic Chemistry, Charles University, Hlavova 2030, 128 40 Prague 2, Czech Republic


Zirconocene complex [ZrCl25-C5Me4Ph)2] (1) prepared by metathesis of the appropriate lithium cyclopentadienide and ZrCl4 was reduced with magnesium in tetrahydrofuran in the presence of excess bis(trimethylsilyl)acetylene, yielding the low-valent complex [Zr(η5-C5Me4Ph)2- (η2-Me3SiC≡CSiMe3)] (2). However, in addition to 2, the reduction afforded an unexpected Zr(II) complex [Zr(η5-C5Me4Ph)2(s-trans4-buta-1,3-diene)] (3). Compounds 1-3 were characterized by spectroscopic methods and by X-ray single-crystal diffraction.

Keywords: Metallocenes; Zirconocenes; Bis(trimethylsilyl)acetylene; Low-valent zirconium complexes; Cyclopentadienyl ligand; Alkynes; Crystal structures; X-Ray diffraction.

References: 46 live references.