Olefin isomerisation versus hydrozirconation: a case of a stable beta-hydrogen-containing Zr-alkyl derivative.
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.
Petrisor
Cristina E
CE
Departamento de Química Inorgánica, Facultad de Química, Universidad Alcalá, Campus Universitario, E-28871 Alcalá de Henares, Madrid, Spain.
Frutos
Luis Manuel
LM
Castaño
Obis
O
Mosquera
Marta E G
ME
Royo
Eva
E
Cuenca
Tomás
T