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Figure 8
Changes in the geometry of π-stacking interactions in the structure for 2°AP-β with applied pressure result in shrinking of the band gap and consequently in a change of the absorbed wavelengths in the visible range. Maximum absorption wavelengths calculated from the HOCO–LUCO energy gap, and the resulting complementary colors observed for the crystal, are in excellent agreement.

IUCrJ
Volume 11| Part 4| July 2024| Pages 519-527
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524003634