Titanium complexes with sulfur-linked bis(phenolate) ligands

Acta Crystallogr C. 2009 Nov;65(Pt 11):m443-6. doi: 10.1107/S0108270109042280. Epub 2009 Oct 24.

Abstract

High-quality crystals of two bis(phenolate)titanium complexes, namely dichlorido{4,4'-dimethyl-2,2'-[cyclohexane-1,2-diylbis(sulfanediyl)]diphenolato}titanium(IV), [Ti(C(20)H(22)O(2)S(2))Cl(2)], (I), and dichlorido{2,2'-[cyclohexane-1,2-diylbis(sulfanediyl)]diphenolato}titanium(IV), [Ti(C(18)H(18)O(2)S(2))Cl(2)], (II), were obtained by reactive crystallization. Depending on the solvent, compound (II) was obtained as unsolvated (IIa) or as the toluene hemisolvate, [Ti(C(18)H(18)O(2)S(2))Cl(2)].0.5C(7)H(8), (IIb). These systems without bulky substituents on the aromatic phenolate rings serve as ideal model compounds for precatalysts. The excellent X-ray diffraction data will help clarify the nature of the mismatched interactions between the soft S atoms within the ligand and the hard titanium center. Molecule (I) has crystallographic C(2) symmetry.