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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2022
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| Materias: | |
| 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 |