Dimeric Structures of Cp'TiCl2 Compounds with Bulky Substituents at the Cyclopentadienyl Rings

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Title:Dimeric Structures of Cp'TiCl2 Compounds with Bulky Substituents at the Cyclopentadienyl Rings
Creators:
Schmid, Günter
Thewalt, Ulf
Sedmera, Petr
Hanuš, Vladimír
Mach, Karel
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 63, 5, pp. 636-645
Uncontrolled Keywords:Sandwich complexes, Titanocenes, Crystal structures, Cyclopentadienyl ligands, Chloride bridges, Metallocenes, Titanium(III) complexes

Abstract

The complexes [(η<sup>5</sup>-C<sub>5</sub>Me<sub>4</sub>Ph)TiCl(μ-Cl)]<sub>2</sub> (<strong>1</strong>) and [(η<sup>5</sup>-C<sub>5</sub>Bn<sub>5</sub>)TiCl(μ-Cl)]<sub>2</sub> (<strong>2</strong>) (Bn = benzyl) were obtained by the reaction of TiCl<sub>3</sub> and the corresponding alkali metal cyclopentadienides in a THF-toluene mixture. The X-ray diffraction single-crystal analysis revealed that both compounds form centrosymmetric dimers bridged <i>via</i> a pair of chloride ligands. Compound <strong>1</strong> crystallizes in the monoclinic space group <i>P2</i><sub>1</sub>/<i>n</i> (No. 14; <i>a</i> = 11.387(3) Å, <i>b</i> = 16.496(2) Å, c = 8.383(2) Å, β = 110.786(15)°, V = 1 472.2(6) Å<sup>3</sup>, <i>Z</i> = 2), and compound <strong>2</strong> in the monoclinic space group <i>P2</i><sub>1</sub>/<i>c</i> (No. 14; <i>a</i> = 18.967(5) Å, <i>b</i> = 10.7190(10) Å, <i>c</i> = 17.996(5) Å, β = 116.747(15)°, <i>V</i> = 3 267.2(13) Å<sup>3</sup>, <i>Z</i> = 2). Common features of the structures differ only negligibly. The Ti-Ti distance (in <strong>1</strong> 3.3345(11) Å, in <strong>2</strong> 3.374(2) Å) is considerably shorter than in paramagnetic dimeric titanocene monochlorides (3.91-3.95 Å). The compounds are diamagnetic, probably due to spin-paired d<sup>1</sup> electrons.

Title:Dimeric Structures of Cp'TiCl2 Compounds with Bulky Substituents at the Cyclopentadienyl Rings
Creators:
Schmid, Günter
Thewalt, Ulf
Sedmera, Petr
Hanuš, Vladimír
Mach, Karel
Uncontrolled Keywords:Sandwich complexes, Titanocenes, Crystal structures, Cyclopentadienyl ligands, Chloride bridges, Metallocenes, Titanium(III) complexes
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:63
Number:5
Page Range:pp. 636-645
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19980636UNSPECIFIED
ID Code:1329
Item Type:Article
Deposited On:06 Feb 2009 17:08
Last Modified:06 Feb 2009 16:08

Citation

Schmid, Günter; Thewalt, Ulf; Sedmera, Petr; Hanuš, Vladimír; Mach, Karel (1998) Dimeric Structures of Cp'TiCl2 Compounds with Bulky Substituents at the Cyclopentadienyl Rings. Collection of Czechoslovak Chemical Communications, 63 (5). pp. 636-645. ISSN 0010-0765

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