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Roles of Base in the Pd-Catalyzed Annulative Chlorophenylene Dimerization

Roles of Base in the Pd-Catalyzed Annulative Chlorophenylene Dimerization

Li-Ping Xu, Brandon E. Haines, Manjaly J. Ajitha, Kei Murakami, Kenichiro Itami*, Djamaladdin G. Musaev*
ACS Catal. 2020, ASAP. DOI: 10.1021/acscatal.9b05328

The detailed mechanism of the Pd-catalyzed annulative chlorophenylene dimerization has been elucidated and the roles of the base have been identified.

パラジウム触媒を用いるクロロフェニレンの環化二量化のメカニズムについて、計算科学を用いて研究を行なった。その結果、パラダサイクル中間体を経由し、生成物が得られることが示唆された。

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