Activation parameters for propene polymerization mediated by a bis(phenoxyamine)Zr-dibenzyl catalyst in combination with MAO have been measured experimentally and calculated by DFT; experiment and calculation consistently indicate that the entropic term is the most important reason for the low chain propagation rate with this system. Based on this finding and a review of literature data on a variety of olefin polymerization catalysts, we propose a strong correlation between the propagation rate and how catalysts deal with the entropy loss of monomer capture. © 2010 American Chemical Society.

Structure-activity relationship in olefin polymerization catalysis: Is entropy the key?

CIANCALEONI, GIANLUCA;
2010

Abstract

Activation parameters for propene polymerization mediated by a bis(phenoxyamine)Zr-dibenzyl catalyst in combination with MAO have been measured experimentally and calculated by DFT; experiment and calculation consistently indicate that the entropic term is the most important reason for the low chain propagation rate with this system. Based on this finding and a review of literature data on a variety of olefin polymerization catalysts, we propose a strong correlation between the propagation rate and how catalysts deal with the entropy loss of monomer capture. © 2010 American Chemical Society.
Ciancaleoni, Gianluca; Fraldi, Natascia; Budzelaar, Peter H. M.; Busico, Vincenzo; Cipullo, Roberta; Macchioni, Alceo
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11568/828374
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