An Averaged Field Calculation of the Polarity of the Carbonhyphen;Hydrogen Bond

摘要

Considering the carbon‐hydrogen bond as an isolated unit, and including the effect of the interelectronic repulsions, a quantum‐mechanical calculation of the polarity of this bond is made. The bond dipole is found to be C+H−. On the basis of these calculations, the effect of change in hybridization on the C&sngbnd;H dipole, and the similar effect of replacement of hydrogen in a hydrocarbon by a highly electronegative substituent, is qualitatively discussed. It is predicted that, in both cases, there will be a tendency for the dipole moment to reverse itself.