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Figure 6
(Top) The ZL energy profiles for in-plane rotation of benzene (red) and coronene (black, inset) in their crystal. The secondary minimum at 30° for coronene corresponds to exposure of the hydrogen-free bay area. (Bottom) The com­ponents of the barrier for coronene: stabilizing dispersion (blue dots) against increasing repulsion (black broken line). The thick red line denotes insignificant Coulombic terms. The 120–360° landscape is periodic.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 78| Part 3| June 2022| Pages 333-343
https://doi.org/10.1107/S2052520621012191
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