The structural dependence of the inductive effect. Part III. The calculation of geminal substituent effects upon 1H and 13C chemical shifts, and directly-bonded substituent effects upon 13C, 11B, 31P, and 119Sn shielding
- 1 January 1972
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 2,p. 214-219
- https://doi.org/10.1039/p29720000214
Abstract
The calculational procedure applied in Part I to 19F shielding is extended to other nuclei. Substituent effects caused by directly bonded interactions are allowed for, in addition to geminal effects. The method enables the chemical shifts of 1H, 13C, 11B, and 31P nuclei in a variety of situations to be calculated (from suitable references), and successfully explains deviations from additivity of substituent effects. An important exception is noted for the case of 119Sn shielding in some mixed halides of SnIV.Keywords
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