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Methyl Substitution Destabilizes Alkyl Radicals

We have quantum chemically investigated how methyl substituents affect the stability of alkyl radicals Me(m)H(3−m)C⋅ and the corresponding Me(m)H(3−m)C−X bonds (X = H, CH(3), OH; m = 0 – 3) using density functional theory at M06‐2X/TZ2P. The state‐of‐the‐art in physical organic chemistry is that alk...

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Detalles Bibliográficos
Autores principales:	Blokker, Eva, van Zeist, Willem‐Jan, Sun, Xiaobo, Poater, Jordi, van der Schuur, J. Martijn, Hamlin, Trevor A., Bickelhaupt, F. Matthias
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2022
Materias:	Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9545886/ https://www.ncbi.nlm.nih.gov/pubmed/35819818 http://dx.doi.org/10.1002/anie.202207477

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