Intramolecular screening effects on nuclear magnetic resonance chemical shifts. Part III. Some investigations of the correlation between fluorine-19 nuclear screening and intramolecular electric fields, and an assignment of the 19F resonance spectrum of perfluorobicyclo[2,2,1]heptane
- 1 January 1969
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society B: Physical Organic
- p. 247-252
- https://doi.org/10.1039/j29690000247
Abstract
Perfluorobicyclo[2,2,1]heptane, trans-perfluorodecalin, and perfluorocyclohexane are taken as the basis for the investigation of methods for the correlation of fluorine-19 nuclear screening with intramolecular electric fields. The most satisfactory correlation is obtained by use of an equation of the form Δσ=–XΔEz– YΔ(E2)– ZΔ〈E2〉. The point of origin of the electric fields associated with C–F bonds is investigated, together with the validity of including contributions from C–C bonds to the 〈E2〉 term.Keywords
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