Bioinorg Chem Appl. 2010. pii: 914580. Epub 2010 Jun 23.

In Search for Titanocene Complexes with Improved Cytotoxic Activity: Synthesis, X-Ray Structure, and Spectroscopic Study of Bis(eta-cyclopentadienyl)difluorotitanium(IV).

Koleros E, Stamatatos TC, Psycharis V, Raptopoulou CP, Perlepes SP, Klouras N.

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Department of Chemistry, University of Patras, 26504 Patras, Greece.

Abstract

The 1 : 2 reaction of [Ti(eta(5)-C(5)H(5))(2)Cl(2)] and AgF in CHCl(3)/H(2)O yielded the fluoro analog [Ti(eta(5)-C(5)H(5))(2)F(2)] (1) in almost quantitative yield (C(5)H(5) is the cyclopentadienyl group). The coordination about the Ti(IV) atom formed by two fluoro ligands and the centroids of the cyclopentadienyl rings is distorted tetrahedral. The compound crystallizes in the orthorhombic space group C2cm. The lattice constants are a = 5.9055(4), b = 10.3021(5), c = 14.2619(9) A, and alpha = beta = gamma = 90 degrees . The complex has been characterized by elemental analyses and spectroscopic (IR, (1)H NMR) data. A structural comparison of the four members of the [Ti(eta(5)-C(5)H(5))(2)X(2)] family of complexes (X = F, Cl, Br, I) is attempted.

PMID:: 20689714; [PubMed]
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