Untangling the Mechanochromic Properties of Benzothiadiazole-Based Luminescent Polymorphs through Supramolecular Organic Framework Topology

, respectively, as a result of the breaking and restoration of a number of weak supramolecular interactions. The color changes accompanying this transformation have been rationalized with the help of time-dependent density functional theory. We firmly believe that our findings will inspire future research on the design of novel stimuli-responsive organic materials with switchable properties based on their supramolecular interactions by establishing clear SOFT-property relationships.