Determination of the Diamagnetic Anisotropy Effects of the Csngbnd;C Bond and Cmdash;Halogen Bonds in Nuclear Magnetic Resonance Spectroscopy

摘要

The empirical method previously used to obtain diamagnetic anisotropy effects of ring systems in proton magnetic resonance spectroscopy, based upon C13sngbnd;H coupling constants, has now been applied to the Csngbnd;C and Cmdash;halogen bonds. The result for the Csngbnd;C bond, 10.0plusmn;1.0times;10mdash;6cm3molemdash;1, is somewhat larger, though of the same sign and order of magnitude, as previously reported values. The results obtained are for Cmdash;halogen bonds, and are also compared with previous estimates.