Olefin isomerisation versus hydrozirconation: a case of a stable beta-hydrogen-containing Zr-alkyl derivative

摘要

Details of the olefin isomerisation mechanism followed by monohydride constrained-geometry zirconium complexes have been clarified using the allyldimethylsilylcyclopentadienyl zirconium hydride model compound. DFT calculations on the model systems agree with the experimental results.