How Solvation Influences the S(N)2 versus E2 Competition

[Image: see text] We have quantum chemically investigated how solvation influences the competition between the S(N)2 and E2 pathways of the model F(–) + C(2)H(5)Cl reaction. The system is solvated in a stepwise manner by going from the gas phase, then via microsolvation of one to three explicit solv...

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Detalles Bibliográficos
Autores principales: Hansen, Thomas, Roozee, Jasper C., Bickelhaupt, F. Matthias, Hamlin, Trevor A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8822482/
https://www.ncbi.nlm.nih.gov/pubmed/34932346
http://dx.doi.org/10.1021/acs.joc.1c02354

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8822482/
https://www.ncbi.nlm.nih.gov/pubmed/34932346
http://dx.doi.org/10.1021/acs.joc.1c02354

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