Figure 3
Experimental ρ(r) maps for (I) (a) and (II) (b), on the planes defined by K, Mn or Cl and O(3) atoms. The corresponding maps of ∇2ρ(r) are reported in (c) and (d). The absolute values of the contours (a.u.) increase from the outermost one inwards in steps of 2 × 10n, 4 × 10n and 8 × 10n, with n beginning at −3 and increasing in steps of 1. For ∇2ρ(r) maps, positive values are denoted by dashed contours, negative values are denoted by solid contours. The two trajectories (bond paths) of ρ(r) that originate at the BCP are superimposed on the maps. |