Figure 11
(a) Scatterplot of the electrostatic potential V(r) generated by the cation versus total electron density ρ(r) on the Hirshfeld surface around the metformin cation. Notice on the Hirshfeld surface ρext(r) = ρint(r). The color indicates the atom type (Hn, Hc, C, N) contributing most to the electron density on the surface. A square-root scale is used for ρ(r). The ρ(r) and V(r) values on the Hirshfeld surface were retrieved with the software MoProViewer. (b) Scatterplot of the ESP Vint(r) generated by the cation versus Vext(r) generated by the chloride atom of the asymmetric unit plus 17 neighboring MetCl molecules. |