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Theoretical and Spectroscopic UV Study of the EtInd 2 ZrCl 2 /MAO, EtInd 2 ZrCl 2 /MAO‐AlCl 3 and EtInd 2 ZrCl 2 /MAO‐Ethyl Benzoate Interaction
Author(s) -
Ferreira M. L.,
Belelli P. G.,
Damiani D. E.
Publication year - 2001
Publication title -
macromolecular chemistry and physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.57
H-Index - 112
eISSN - 1521-3935
pISSN - 1022-1352
DOI - 10.1002/1521-3935(20010201)202:4<495::aid-macp495>3.0.co;2-n
Subject(s) - lewis acids and bases , chemistry , solvent , polymer chemistry , ion , metallocene , aluminium , solvent effects , organic chemistry , catalysis , polymerization , polymer
This work presents a theoretical and experimental study of the active sites formation in the system EtInd 2 ZrCl 2 /MAO. Results about the effect of additives as a Lewis acid (AlCl 3 ) or a Lewis base (EB) are also analyzed. The theoretical study takes into account all the known steps in the active site formation: alkylation of zirconocene, formation of a polarized complex metallocene: MAO, formation of a contact ion pair and finally a solvent separated ion pair. Other reactions of the zirconocene with other aluminium alkyls (AlCl 3 and AlMe 3 ) are also presented and studied. UV‐vis experimental results of the additive effects are reported and explained taking into account the theoretical results. A short review of our results and others is presented to complete and discuss the ideas. The most probable sites are loosened contact ion pairs, not the solvent separated ion pairs.