Determination of the Diamagnetic Anisotropy Effects of the C–C Bond and C—Halogen Bonds in Nuclear Magnetic Resonance Spectroscopy

Abstract

The empirical method previously used to obtain diamagneticanisotropy effects of ring systems in protonmagnetic resonancespectroscopy, based upon C13–H coupling constants, has now been applied to the C–C and C—halogen bonds. The result for the C–C bond, 10.0±1.0×10—6 cm3 mole—1, is somewhat larger, though of the same sign and order of magnitude, as previously reported values. The results obtained are for C—halogen bonds, and are also compared with previous estimates.