Six-coordinated half-metallocene catalyst for ethylene polymerization and its mechanism study

IF 5.4 1区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

GIANT Pub Date : 2025-05-08 DOI:10.1016/j.giant.2025.100360

Qian Li, Zifang Guo, Shuzhang Qu, Xinwei Li, Jian Chen, Yiming Wei, Cui Zheng, Zhihui Song, Yue Lan, Zhao Wen, Chaofan Yu

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引用次数: 0

Abstract

The demand for catalysts capable of enabling olefin polymerization at elevated temperatures to meet industrial requirements continues to grow. Among emerging candidates, novel six-coordinated half-metallocene catalysts, which combine the advantages of both metallocenes and non-metallocenes, show promise due to their polymerization performance and thermal stability. Despite this potential, the polymerization mechanism of six-coordinated half-metallocenes with one chloride ligand has not been clarified yet and theoretical calculation of new catalysts in olefin polymerization is an indispensable means for catalyst design and mechanism research. Herein, we present the synthesis and application of a six-coordinated half-zirconocene catalyst that exhibits outstanding polymerization activity under high-temperature conditions. Besides, we elucidate the polymerization process through a combination of theoretical studies and experimental validations. Furthermore, the chain transfer reaction during the polymerization was analyzed by the characterization of polymer.

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乙烯聚合用六配位半茂金属催化剂及其机理研究

为了满足工业需求，对能够在高温下实现烯烃聚合的催化剂的需求持续增长。在新兴的候选催化剂中，新型六配位半茂金属催化剂结合了茂金属和非茂金属的优点，由于其聚合性能和热稳定性而显示出前景。尽管有这样的潜力，但单氯配体六配位半茂金属的聚合机理尚未明确，烯烃聚合新催化剂的理论计算是催化剂设计和机理研究不可缺少的手段。本文介绍了六配位半茂锆催化剂的合成和应用，该催化剂在高温条件下具有优异的聚合活性。此外，我们通过理论研究和实验验证相结合来阐明聚合过程。通过对聚合物的表征，分析了聚合过程中的链转移反应。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

GIANT Multiple-

CiteScore

8.50

自引率

8.60%

发文量

审稿时长

42 days

期刊介绍： Giant is an interdisciplinary title focusing on fundamental and applied macromolecular science spanning all chemistry, physics, biology, and materials aspects of the field in the broadest sense. Key areas covered include macromolecular chemistry, supramolecular assembly, multiscale and multifunctional materials, organic-inorganic hybrid materials, biophysics, biomimetics and surface science. Core topics range from developments in synthesis, characterisation and assembly towards creating uniformly sized precision macromolecules with tailored properties, to the design and assembly of nanostructured materials in multiple dimensions, and further to the study of smart or living designer materials with tuneable multiscale properties.