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5. Computational Studies on Ni-catalyzed C-F cleavage for cyclopentadiene derivative Synthesis

Computational Studies on Ni-catalyzed C-F cleavage for cyclopentadiene derivative Synthesis

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：syzy3106jiege

【摘 要】

：

Density functional theory calculations have been performed to study the detailed mechanism of Ni -catalyzed [3+2] cycloaddition of 2-trifluoromethyl-1-alkenes with alkynes1 (eq.1) via cleavage of two

【作 者】

：

Huang Xin Chen Wen-Jie Xu Ruo-Nan 

【机 构】

：

College of Chemistry, Fuzhou University, Fuzhou 350116, China

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

DFT Ni-catalyzed C-F cleavage regioselectivity 

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　　Density functional theory calculations have been performed to study the detailed mechanism of Ni -catalyzed [3+2] cycloaddition of 2-trifluoromethyl-1-alkenes with alkynes1 (eq.1) via cleavage of two C-F bonds.

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