Novel titanocene derived from a partially alkylated s-indacene: Synthesis, characterization and comparative study with its zirconium analog

The preparation of a novel titanium(IV) metallocene (2), including 2,6-diethyl-4,8-dimethyl-5-hydroindacenide (Ic′H) as ligand was successfully achieved and it was characterized by means of 1H, 13C NMR and elemental analysis. Cyclic voltammetry studies were performed for complex 2 as well as for its zirconium analog 1. Both complexes were tested in the catalysis of ethylene polymerization, showing a considerable difference between their catalytic activities in a proportion of 625:1 between complex 1 and 2. DFT calculations were performed in order to gain further knowledge about the geometry of the complexes and their electronic properties and therefore explain the difference between their reactivity.