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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...

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Detalles Bibliográficos
Autores principales:	Chen, Wen-Jie, Xu, Ruo-Nan, Lin, Weimin, Sun, Xuejiao, Wang, Bin, Wu, Qi-Hui, Huang, Xin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6099089/ https://www.ncbi.nlm.nih.gov/pubmed/30151361 http://dx.doi.org/10.3389/fchem.2018.00319

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