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...

Descripción completa

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

Internet

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

Ejemplares similares