In Search for Titanocene Complexes with Improved Cytotoxic Activity: Synthesis, X-Ray Structure, and Spectroscopic Study of Bis(η5-cyclopentadienyl)difluorotitanium(IV)

[摘要] The 1 : 2 reaction of[Ti(η5-C5H5)2Cl2]and AgF inCHCl3/H2Oyielded the fluoro analog[Ti(η5-C5H5)2F2](1) in almost quantitative yield (C5H5is the cyclopentadienyl group). The coordination about theTiIVatom formed by two fluoro ligands and the centroids of the cyclopentadienyl rings is distorted tetrahedral. The compound crystallizes in the orthorhombic space groupC2cm. The lattice constants area=5.9055(4),b=10.3021(5),c=14.2619(9) Å, andα=β=γ=90°. The complex has been characterized by elemental analyses and spectroscopic (IR,H1NMR) data. A structural comparison of the four members of the[Ti(η5-C5H5)2X2]family of complexes (X=F,Cl,Br,I) is attempted.

[学科分类] 物理化学和理论化学