1H and 19F NMR chemical shifts for hydrogen bond strength determination: Correlations between experimental and computed values

1H and 19F NMR methods based on chemical shift measurements of different hydrogen bond donors used for quantifying hydrogen bond strength were analyzed and compared. The extracted values from these different methods are shown to be highly correlated with each other and with several experimental and...

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Bibliographic Details
Main Authors: Claudio Dalvit, Marina Veronesi, Anna Vulpetti
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Journal of Magnetic Resonance Open
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2666441022000401