ZnI2/NEt3-Catalyzed Cycloaddition of CO2 with Propargylic Alcohols: Computational Study on Mechanism,ChemCatChem

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ZnI2/NEt3-Catalyzed Cycloaddition of CO2 with Propargylic Alcohols: Computational Study on Mechanism
ChemCatChem ( IF 3.8 ) Pub Date : 2017-09-01 04:30:26 , DOI: 10.1002/cctc.201700771
Jun Ma ₁ , Lu Lu _{1,

2} , Qingqing Mei ₁ , Qinggong Zhu ₁ , Jiayin Hu ₁ , Buxing Han _{1,

2}

Affiliation

Take the middle course: Based on the DFT method, a complete picture of the ZnI₂/NEt₃-catalyzed mechanism of the cycloaddition of CO₂ with propargylic alcohols is provided, and the essential roles of the metal ion and the base are revealed.

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