1,3-Di-t-butyl substituted cyclopentadienyl Titanium complexes. New structural aspects

Abstract Cp ** 2 TiCl 2 (I) was obtained by the reaction of TiCl 4 with Cp ** LiC 5 H 3 (C 4 -H 9 -t) 2 Li. Complex I was treated with potassium metal in pentane to give paramagnetic Cp ** 2 TiCl (II) in high yield. The crystal structures of I and II were determined by X-ray crystallography. The molecules of both complexes are monomeric in crystals. Complex I: monoclinic, B 2/ b , a 21.069, b 19.387, c 6.560 A, γ 94.25°, R = 0.045. TiCl and TiC bond distances are 2.349 and 2.124 A, on the average, respectively. ClTiCl and Cp *** TiTp ** angle values are 93.1 and 121° Complex II: monoclinic, P 2/ n , a 13.497, b 13.441, c 7.207 A, γ 86.48°, R = 0.064 TiCl and TiC bond distances are 2.337 and 2.386 A, on the average, respectively. Cp *** TiCp ** angle value is 134.8°.