19 F nuclear magnetic resonance studies of halogenated propanes

…, K Ohnishi, H Okamoto, T Miyajima, S Morikawa

Index: Tanuma, T.; Ohnishi, K.; Okamoto, H.; Miyajima, T.; Morikawa, S. Journal of Fluorine Chemistry, 1992 , vol. 57, p. 259 - 284

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Citation Number: 12

Abstract

Abstract The relationship between 19 F 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 19 F chemical shifts. The differences among chemical shifts in diastereomers are also discussed in terms of the conformation of the ...