Understanding dynamic processes in molecular crystals is becoming crucial for the development of next-generation smart crystalline materials. In this context, Zwolenik & Makal [(2025). IUCrJ, 12, 23-35] shed light on the complex dynamics-structure-properties relation of a pyrene derivative by correlating molecular and lattice anharmonic vibrations with the unusual thermal expansion of the compound.
Keywords: anharmonicity; lattice dynamics; lattice vibrations; molecular crystals; molecular vibrations; quantum crystallography.
open access.