Computational Exploration of Ambiphilic Reactivity of Azides and Sustmann’s Paradigmatic Parabola

[Image: see text] We examine the theoretical underpinnings of the seminal discoveries by Reiner Sustmann about the ambiphilic nature of Huisgen’s phenyl azide cycloadditions. Density functional calculations with ωB97X-D and B2PLYP-D3 reproduce the experimental data and provide insights into ambiphil...

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Detalles Bibliográficos
Autores principales: Chen, Pan-Pan, Ma, Pengchen, He, Xue, Svatunek, Dennis, Liu, Fang, Houk, Kendall N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154615/
https://www.ncbi.nlm.nih.gov/pubmed/33769821
http://dx.doi.org/10.1021/acs.joc.1c00239

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154615/
https://www.ncbi.nlm.nih.gov/pubmed/33769821
http://dx.doi.org/10.1021/acs.joc.1c00239

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