Neutral and cationic zirconium alkyl and hydride complexes supported by a macrocycle based on cyclen

Cationic alkyl and cationic hydride complexes of zirconium are of particular interest as they play an important role as the active species in olefin polymerization and hydrogenation. The main objective of this work was to study the accessibility of cationic alkyl and hydride complexes of zirconium stabilized with macrocyclic ligands based on cyclen, their characterization, both in solid state and in solution, as well as their reactivity towards small molecules. This work describes the preparation, isolation, and characterization of new cationic alkyl and hydride compounds of zirconium. Detailed analysis of the coordination chemistry of these complexes in solution and in the solid state established the basis for understanding structurereactivity-relationships, like C–H bond activation of heterocycles (e. g. THF) and Fischer- Tropsch reactions.