Propene polymerization using Ti Cp-phosphinimide catalysts in toluene and related aromatic solvents leads to the formation of benzyl-terminated polymer chains. End-group analysis suggests that these are formed after a 2,1 insertion event; density functional theory (DFT) studies support a mechanism involving homolysis of a Ti-sec-alkyl bond. This reaction could enable the catalytic formation of chain-end functionalized polyolefins. More importantly, it demonstrates that Ti-C homolysis might limit activity but does not necessarily constitute an irreversible deactivation mechanism.

Chain Transfer to Solvent in Propene Polymerization with Ti Cp-phosphinimide Catalysts: Evidence for Chain Termination via Ti-C Bond Homolysis

Ehm, C;CIPULLO, ROBERTA;ZACCARIA, FRANCESCO;BUDZELAAR, Petrus Henricus Maria;BUSICO, VINCENZO
2016

Abstract

Propene polymerization using Ti Cp-phosphinimide catalysts in toluene and related aromatic solvents leads to the formation of benzyl-terminated polymer chains. End-group analysis suggests that these are formed after a 2,1 insertion event; density functional theory (DFT) studies support a mechanism involving homolysis of a Ti-sec-alkyl bond. This reaction could enable the catalytic formation of chain-end functionalized polyolefins. More importantly, it demonstrates that Ti-C homolysis might limit activity but does not necessarily constitute an irreversible deactivation mechanism.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11588/662407
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