Synthesis and characterisation of [M(η5-NC4Me4)(CH2Ph)3] (M=Ti, Zr, Hf) and [Ti(η5-NC4Me4)(Me)Cl2]. Structural determination and bonding of [Ti(η5-NC4Me4)(Me)Cl2] depicting an agostic interaction

The complex [Ti(η5-NC4Me4)(Me)Cl2] (1) has been synthesised and characterised. Based upon the X-ray structure and ab initio theoretical calculations performed on the model complex [Ti(η5-NC4H4)(Me)Cl2] an agostic interaction has been postulated. The synthesis and characterisation of [M(η5-NC4Me4)(CH2Ph)3] (M=Ti, 2; Zr, 3; Hf, 4) complexes are also described as well as the possibility of similar agostic interactions, which are discussed from the NMR data and the comparison with analogue carbocyclic compounds.