Publikation: Zirconocene complexes with cyclopenta[l]phenanthrene ligands : syntheses, structural dynamics, and properties as olefin polymerization catalysts
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2000
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Organometallics. 2000, 19(18), pp. 3597-3604. ISSN 0276-7333. eISSN 1520-6041. Available under: doi: 10.1021/om000149j
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(2-Methylcyclopenta[l]phenanthryl)2ZrCl2 and (2-phenylcyclopenta[l]phenanthryl)2ZrCl2 were synthesized and used, after activation with MAO, as catalysts for the polymerization of propene. The resulting polymers had low isotacticities (8−18% [mmmm]). Ligand rotation barriers for the corresponding Zr−dibenzyl derivatives were determined by dynamic NMR spectroscopy. Pathways and transition states for ligand rotation in this series of complexes were studied by molecular-mechanics calculations and are discussed in relation to the microstructure of the respective polymer products.
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SCHNEIDER, Nicole, Frank SCHAPER, Katrin SCHMIDT, Robin KIRSTEN, Armin GEYER, Hans-Herbert BRINTZINGER, 2000. Zirconocene complexes with cyclopenta[l]phenanthrene ligands : syntheses, structural dynamics, and properties as olefin polymerization catalysts. In: Organometallics. 2000, 19(18), pp. 3597-3604. ISSN 0276-7333. eISSN 1520-6041. Available under: doi: 10.1021/om000149jBibTex
@article{Schneider2000Zirco-23735,
year={2000},
doi={10.1021/om000149j},
title={Zirconocene complexes with cyclopenta[l]phenanthrene ligands : syntheses, structural dynamics, and properties as olefin polymerization catalysts},
number={18},
volume={19},
issn={0276-7333},
journal={Organometallics},
pages={3597--3604},
author={Schneider, Nicole and Schaper, Frank and Schmidt, Katrin and Kirsten, Robin and Geyer, Armin and Brintzinger, Hans-Herbert}
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<dcterms:abstract xml:lang="eng">(2-Methylcyclopenta[l]phenanthryl)<sub>2</sub>ZrCl<sub>2</sub> and (2-phenylcyclopenta[l]phenanthryl)<sub>2</sub>ZrCl<sub>2</sub> were synthesized and used, after activation with MAO, as catalysts for the polymerization of propene. The resulting polymers had low isotacticities (8−18% [mmmm]). Ligand rotation barriers for the corresponding Zr−dibenzyl derivatives were determined by dynamic NMR spectroscopy. Pathways and transition states for ligand rotation in this series of complexes were studied by molecular-mechanics calculations and are discussed in relation to the microstructure of the respective polymer products.</dcterms:abstract>
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