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Unusually Large Effects of Charge‐assisted C−H⋅⋅⋅F Hydrogen Bonds to Anionic Fluorine in Organic Solvents: Computational Study of (19)F NMR Shifts versus Thermochemistry

A comparison of computed (19)F NMR chemical shifts and experiment provides evidence for large specific solvent effects for fluoride‐type anions interacting with the σ*(C−H) orbitals in organic solvents like MeCN or CH(2)Cl(2). We show this for systems ranging from the fluoride ion and the bifluoride...

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Detalles Bibliográficos
Autores principales:	Kaupp, Martin, Schattenberg, Caspar J., Müller, Robert, Reimann, Marc
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2022
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9716039/ https://www.ncbi.nlm.nih.gov/pubmed/35984672 http://dx.doi.org/10.1002/open.202200146

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