The mechanism of formation of branched polyethylene in the polymerization promoted by mesometallocene/MAO systems has been investigated by combining DFT calculations and experimental results on differently featured meso-zirconocenes. A possible explanation for the required meso structure in the formation of branches considers a competition of ethene insertion and β-hydrogen transfer to the monomer. General mechanistic considerations in order to design catalytic systems able to synthesize LLDPE by ethene homopolymerization have been outlined. © 2008 American Chemical Society.
IZZO, LORELLA (Corresponding)
|Data di pubblicazione:||2008|
|Titolo:||Tailoring the metallocene structure to obtain LLDPE by ethene homopolymerization: An experimental and theoretical study|
|Digital Object Identifier (DOI):||10.1021/om7006562|
|Codice identificativo ISI:||WOS:000254565900004|
|Codice identificativo Scopus:||2-s2.0-42449115690|
|Appare nelle tipologie:||Articolo su Rivista|