Theoretical prediction on CO insertion reactions through the anionic complex [ClMg(η²-O₂C]⁻ as a catalyst

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• 作者：Jin-Feng Ma^a ; Fang Ma^a ; ^{mafangchem@foxmail.com} ; Zhong-Jun Zhou^b ; Ying-Tao Liu^c
• 关键词：Carbene character ; CO insertion reaction ; CC bond formation ; Reaction mechanism ; Solvent effect
• 刊名：Computational and Theoretical Chemistry
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：1101
• 期：Complete
• 页码：55-61
• 全文大小：1745 K
• 卷排序：1101

文摘

An alternative carbonylation of CO molecule inserting into CH bond is reported. The anionic magnesium–CO2 complex [ClMg(η2-O2C)]− without any transition metals is proposed as a catalyst. Competition between the dehydrogenation and CC bond formation.