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Concerted [4 + 2] and Stepwise (2 + 2) Cycloadditions of Tetrafluoroethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations

[Image: see text] Tetrafluoroethylene and butadiene form the 2 + 2 cycloadduct under kinetic control, but the Diels–Alder cycloadduct is formed under thermodynamic control. Borden and Getty showed that the preference for 2 + 2 cycloaddition is due to the necessity for syn-pyramidalization of the two...

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Detalles Bibliográficos
Autores principales:	Svatunek, Dennis, Pemberton, Ryan P., Mackey, Joel L., Liu, Peng, Houk, K. N.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7063576/ https://www.ncbi.nlm.nih.gov/pubmed/32031811 http://dx.doi.org/10.1021/acs.joc.0c00222

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