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Pairwise effects of chlorine substituents on the 13C NMR chemical shifts of dichlorobicyclo[2.2.1]heptanes (norbornanes)

✍ Scribed by Katri Laihia; Jaakko Paasivirta; Heikki Pikkarainen; Sirkku Aho-Pulliainen

Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
324 KB
Volume
22
Category
Article
ISSN
0749-1581

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✦ Synopsis

The "C NMR spectra of nine dichlorinated bicyclo[2.2.l]heptanes (norbornanes) have been measured and assigned. The pairwise effects of chlorine substituents which cause deviations from the additivity of single-snbstituent effects were investigated and are discussed. The largest effect found is the high-field shift of carbons bearing vicinal cis substituents. In the case of geminal substitution deviations from additivity were found to be to low field and large in the y, smaller in the p and negligible in the a chemical shifts. The observed deviations for 1,3-disubstituted cases vary from -3.2 to +1.1 ppm at different carbons, allowing no simple explanation. Replacement of a-hydrogen in a diaxial1,3-arrangement by CH,, OH or Cl causes the single substituent effect, namely the y . effect, to change considerably.

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