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Journal of the Serbian Chemical Society
Article . 2006 . Peer-reviewed
License: CC BY NC ND
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Journal of the Serbian Chemical Society
Article
License: CC BY NC ND
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The charge percolation mechanism and simulation of Ziegler-Natta polymerizations. Part III. Oxidation states of transition metals

Authors: BRANKA PILIC; DRAGOSLAV STOILJKOVIC; IVANA BAKOCEVIC; SLOBODAN JOVANOVIC; DAVOR PANIC; LJILJANA KORUGIC-KARASZ;

The charge percolation mechanism and simulation of Ziegler-Natta polymerizations. Part III. Oxidation states of transition metals

Abstract

The oxidation state of the transition metal (Mt) active centre is the most disputable question in the polymerization of olefins by Ziegler-Natta (ZN) and metallocene complexes. In this paper the importance and the changes of the Mt active centers are presented and discussed on the basis of a charge percolation mechanism (CPM) of olefin polymerization. Mt atoms can exist in different oxidation states and can be easily transformed from one to another state during activation. In all cases, the Mt atoms are present in several oxidation states, i.e., Mt+(n-1), Mt+(n) to Mt+(n+1), producing an irregular charge distribution over the support surface. There is a tendency to equalize the oxidation states by a charge transfer from Mt+(n-1) (donor) to Mt+(n+1) (acceptor). This cannot occur since the different oxidation states are highly separated on the support. However, monomer molecules are adsorbed on the support producing clusters with stacked ?-bonds, making a ?-bond bridge between a donor and an acceptor. Once a bridge is formed (percolation moment), charge transfer occurs. The donor and acceptor equalize their oxidation states simultaneously with the polymerization of the monomer. The polymer chain is desorbed from the support, freeing the surface for subsequent monomer adsorption. The whole process is repeated with the oxidation-reduction of other donor-acceptor ensembles.

Keywords

metallocene, Chemistry, Ziegler–Natta polymerization, mechanism, oxidation state, transition metal, QD1-999, ziegler-natta polymerization

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
2
Average
Average
Average
Published in a Diamond OA journal