DFT Studies on Ni-Mediated C–F Cleavage for the Synthesis of Cyclopentadiene Derivatives
Density functional theory calculations have been performed to study the detailed mechanism of Ni-mediated [3+2] cycloaddition of 2-trifluoromethyl-1-alkenes with alkynes via cleavage of two C-F bonds. It was found that the reaction pathway involves oxidative cyclization, the first β-fluorine elimina...
Main Authors: | Wen-Jie Chen, Ruo-Nan Xu, Weimin Lin, Xuejiao Sun, Bin Wang, Qi-Hui Wu, Xin Huang |
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Format: | Article |
Language: | English |
Published: |
Frontiers Media S.A.
2018-08-01
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Series: | Frontiers in Chemistry |
Subjects: | |
Online Access: | https://www.frontiersin.org/article/10.3389/fchem.2018.00319/full |
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