A set of metallocene olefin polymerization catalysts bearing triptycene moieties in either position 4–5 (complexes Ty1–Ty5) or in position 5–6 (complexes Ty6–Ty8) of the basic dimethylsilyl-bridged bis(indenyl) system has been tested in propene polymerization and in ethene/1-hexene copolymerization. Comparison of the results with QSPR (quantitative structure–property relationship) predictions not parametrized for these exotic ligand variations demonstrates that trends can still be identified by extrapolation. Interestingly, Ty7, upon suitable activation, provides a highly isotactic polypropylene with an exceptional amount of 2,1 regio-errors (8%). The previously developed QSPR type models successfully predicted the low regioselectivity of this catalyst, despite the fact that the catalyst structure differs significantly from the benchmark set.

中文翻译：

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三蝶烯作为茂金属催化烯烃聚合的支架


一组在基本二甲基甲硅烷基桥联双（茚基）体系的 4-5 位（配合物 Ty1-Ty5）或 5-6 位（配合物 Ty6-Ty8）上带有三蝶烯部分的茂金属烯烃聚合催化剂已在丙烯中进行了测试聚合和乙烯/1-己烯共聚。将结果与未对这些奇异配体变化进行参数化的 QSPR（定量结构-性质关系）预测进行比较，表明仍然可以通过外推法来确定趋势。有趣的是，Ty7 在适当的活化后，提供了具有异常数量的 2,1 区域错误 (8%) 的高度全同立构聚丙烯。尽管催化剂结构与基准组有很大不同，但先前开发的 QSPR 型模型成功预测了该催化剂的低区域选择性。