The regiochemistry of propene insertion promoted by metallocene and postmetallocene Column 4 metal catalysts is investigated with quantum mechanics techniques. It is shown that steric effects dominate the regiochemistry of monomer insertion with classical metallocene-based catalysts, whereas both electronic and steric effects contribute to the regiochemistry of propene insertion with postmetallocene catalysts.
Molecular Modeling of the Regiochemistry of Olefins Insertion with Single Site Polymerization Catalysts / Correa, Andrea; Talarico, Giovanni; L., Cavallo. - In: KINETICS AND CATALYSIS. - ISSN 0023-1584. - STAMPA. - 47:(2006), pp. 170-175. [10.1134/S0023158406020030]
Molecular Modeling of the Regiochemistry of Olefins Insertion with Single Site Polymerization Catalysts
CORREA, ANDREA;TALARICO, GIOVANNI;
2006
Abstract
The regiochemistry of propene insertion promoted by metallocene and postmetallocene Column 4 metal catalysts is investigated with quantum mechanics techniques. It is shown that steric effects dominate the regiochemistry of monomer insertion with classical metallocene-based catalysts, whereas both electronic and steric effects contribute to the regiochemistry of propene insertion with postmetallocene catalysts.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
