19F nuclear magnetic resonance studies of halogenated propanes

Add time:07/22/2019    Source:sciencedirect.com

The relationship between 19F chemical shifts in halogenated propanes and their structures are elucidated using MNDO calculations to determine the population of rotamers. The pairs of atoms gauche to a fluorine atom and van der Waals interaction between the two terminal substituents are responsible for the 19F chemical shifts. The differences among chemical shifts in diastereomers are also discussed in terms of the conformation of the molecule.

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