"C-Hπ Interaction" regulates the stereoselectivity in olefin polymerization.
作者信息
Zhao Yanan, Luo Gen, Kang Xiaohui, Guo Fang, Zhu Xuefeng, Zheng Rencheng, Hou Zhaomin, Luo Yi
机构信息
State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, China.
出版信息
Chem Commun (Camb). 2019 Jun 6;55(47):6689-6692. doi: 10.1039/c9cc02165e.
PMID:31089615
Abstract
DFT calculations disclosed that the stereoselectivity of Sc-catalysed polymerization of halogenated styrenes could be co-regulated via C-Hπ interactions between a coordinating THF and the phenyl ring of a monomer. Such a regulatory mechanism was theoretically confirmed by further studying the polymerization of various monomers, where the stereoselectivity could even shift from syndiotacticity to isotacticity.
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