Formamide CHONH2
| Dipoles (Debyes): C-O sigma, 0.82; C-O pi, 2.38; C-N, 0.85; C-H,
1.82; N-H, 0.88; N-H, 0.83; O sigma LP, 2.89; O p LP, 1.18; N LP, 1.68;
calculated molecular (yellow), 4.02; experimental, 3.730. Upper: Vector addition of lone pair and bond dipoles is carried out graphically by placing the tail of one at the tip of the previous one. This is essentially Figure 6-7, p.150, in Discovering Chemistry with Natural Bond Orbitals by Weinhold and Landis. Lower: Natural Bond Orbital dipole vectors are placed with the positive end at, or near, the originating atom. |