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.

Tailoring the metallocene structure to obtain LLDPE by ethene homopolymerization: An experimental and theoretical study

Izzo, L.
2008-01-01

Abstract

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.
2008
https://www.scopus.com/inward/record.uri?eid=2-s2.0-42449115690&doi=10.1021%2fom7006562&partnerID=40&md5=57799b6b1195d9c34f6cc26af6f23c53
Caporaso, L.; Galdi, N.; Oliva, L.; Izzo, L.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11383/2066503
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