1-Methylimidazol-2-yl-functionalized cyclopentadienyl titanium and zirconium complexes. Crystal structure of [η 5:η1- C5H4CPh2CH2-(1-MeC3H 2N2)]TiCl3

Article abstract of DOI:10.1007/s11172-006-0456-z

The new side-chain functionalized cyclopentadienyl ligand LiC ₅H₄CPh₂CH₂R (R is 1-methylimidazol-2-yl) as lithium salt 2, the trimethylsilyl derivative Me ₃SiC₅H₄CPh₂CH₂R (3), and the ligand in the CH form (4) were prepared starting from 6,6-diphenylfulvene and 1,2-dimethylimidazole lithiated at the 2-Me group (1) and then characterized. The half-sandwich complexes (η⁵:η ¹-C₅H₄CPh₂CH₂R)TiCl ₃ (5) and (η⁵:η ¹-C₅H ₄CPh₂CH₂R)ZrCl₃ (6) were synthesized. The molecular structure of complex 5 was established by X-ray diffraction. Complexes 5 and 6 exhibit dynamic behavior in solution associated with degenerate interconversion of the pseudo-six-membered metallacycle. For titanium complex 5 in a solvating solvent, a dynamic process due to intramolecular dissociation-coordination of the imidazole fragment was observed.