Coordinative chain transfer copolymerization of ethylene and styrene was successfully achieved using an ansa-bisfluorenyl neodymium complex, a dialkylmagnesium as a chain transfer agent and di-n-butylether (Bu₂O) as a co-solvent. Under these conditions, a controlled chain growth was observed during the polymerization. Chain-end functionalization was performed and it revealed that both styryl and alkyl terminated chains shuttle between neodymium and magnesium. The analysis of the microstructure revealed that up to 3 mol% of styrene can be incorporated into the polymer. A computational mechanistic study at the DFT level was performed to characterize insertion selectivities and it further revealed the role of magnesium species in assisting β-H elimination.

中文翻译：

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使用ansa-双（芴基）钕络合物和二烷基镁†进行乙烯和苯乙烯的配位链转移共聚

使用成功实现了乙烯和苯乙烯的协调链转移共聚的柄-bisfluorenyl钕配合物，二烷基镁如链转移剂和二Ñ丁基醚（卜₂ O）作为助溶剂。在这些条件下，在聚合过程中观察到受控的链增长。进行链末端官能化，结果表明，苯乙烯基和烷基封端的链都在钕和镁之间穿梭。微观结构分析表明，可以将高达3 mol％的苯乙烯掺入聚合物中。在DFT级别进行了计算机理研究，以表征插入选择性，并进一步揭示了镁物种在协助β-H消除中的作用。