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Substituent Effects and the Energetics of Noncatalyzed Aryl Halide Aminations: A Theoretical Investigation

[Image: see text] We report the influence of substituents and physical conditions on activation energies for the noncatalyzed amination (C–N cross-coupling reactions) of aryl halides. We uncover a significant correlation between the barrier heights of the C–N bond formation and Hammett σ parameters—...

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Detalles Bibliográficos
Autores principales:	Prasad, Supreeth, Rodene, Dylan D., Burkholder, Michael B., Donald, Kelling J., Gupton, B. Frank
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8529657/ https://www.ncbi.nlm.nih.gov/pubmed/34693141 http://dx.doi.org/10.1021/acsomega.1c03934

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