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Figure 10
Superposition of gradient fields of experimental electron density ∇ρ(r), kinetic ∇φk(r) and electrostatic ∇φes(r) potentials coloured in black, orange and blue, respectively. Two sections showing the heteroatomic (a) and homoatomic (b) contacts constituting the centrosymmetric ππ interaction are given. Critical points (3, −1) in ρ(r), φk(r) and φes(r) are shown by purple and green rhombuses and violet squares, respectively. Gradient paths in ρ(r) and φes(r) connecting the field attractors are shown by red and violet lines; gradient paths in φk(r) are found only for the presented covalent bonds and omitted for clarity.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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