An Averaged Field Calculation of the Polarity of the Carbon-Hydrogen Bond
- 1 February 1951
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 19 (2) , 193-196
- https://doi.org/10.1063/1.1748158
Abstract
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–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.Keywords
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