Collect. Czech. Chem. Commun. 1996, 61, 1285-1294

The Dimeric Structure of Bis(1,3-Dimethylcyclopentadienyl)titanium(III) Chloride

Karel Macha, Vojtech Vargaa, Günter Schmidb, Jörg Hillerb and Ulf Thewaltb

a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic
b Universität Ulm, Sektion für Röntgen- und Elektronenbeugung, D-89069 Ulm, Germany


The X-ray crystal structure analysis of bis(1,3-dimethylcyclopentadienyl)titanium(III) chloride revealed that it is a centrosymmetric chlorine-bridged dimer [(η5-C5H3Me2)2Ti(μ-Cl)]2 (1) with the Ti-Ti distance of 3.9155(8) Å. Its skeleton is virtually identical with those of the [(η5-C5H5)2Ti(μ-Cl)]2 and [(η5-C5H4Me)2Ti(μ-Cl)]2 dimers. The solution EPR study proved that 1 remains a dimer in toluene whereas it dissociates in 2-methyltetrahydrofuran (MTHF) to give (η5-C5H3Me2)2TiCl . MTHF. The EPR spectra of frozen toluene solutions proved that 1 forms the triplet state whose g-tensor and zero-field splitting D are virtually the same as those of [(η5-C5H5)2Ti(μ-Cl)]2.

Keywords: Titanium; Titanocene(III) chloride, dimer; Crystal structure; Electron paramagnetic resonance.