Figure 11
(a) The molecular charge distribution of the antiperiplanar conformer of nitrofurantoin. The electrostatic potential was calculated on an isosurface at 0.0004 e b−3; the colour scale ranges from −0.07 to +0.07 h (e: elementary charge; b: bohr, the atomic unit of length; h: hartree, the atomic unit of energy). (b) The molecular charge distribution of the synperiplanar conformer of nitrofurantoin. (c) The colour scale for the molecular charge distribution. (In the electronic version of the paper, regions of high relative negative charge are red and those of high relative positive charge are blue.) |