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

Dalton Trans. 2008 May 28:(20):2670-3. doi: 10.1039/b803419m.

Abstract

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.