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EnglishActivation 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.
| Autori interni: | |
| Autori: | Ciancaleoni, Gianluca; Fraldi, Natascia; Budzelaar, Peter H. M.; Busico, Vincenzo; Cipullo, Roberta; Macchioni, Alceo |
| Titolo: | Structure-activity relationship in olefin polymerization catalysis: Is entropy the key? |
| Anno del prodotto: | 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. |
| Digital Object Identifier (DOI): | 10.1021/ja105965x |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
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