Figure 4
RDG-based NCI isosurfaces obtained from the experimental ED model at 100 K for (a) Cπ⋯Cπ stacking interactions, (b) C4⋯H5 interaction and (c) homopolar H8—H8 bond. NCI isosurfaces corresponding to RDG = 0.6 a.u. The surfaces are colored on a red–green–blue–purple scale [−0.020 < sign(λ2)ρ < 0.020 a.u.]. Red, green and blue/purple indicate stabilizing, intermediate and destabilizing overlap regions, respectively. Symmetry operations are listed in Table 1. |