Multiple responses of 1,6-diphenyl-1,3,5-hexatriene to mechanical stimulation: emission enhancement, piezochromism and negative linear compressibility

The properties of mechanoresponsive materials are mainly affected by intermolecular interaction, in which anisotropic grinding and hydrostatic high-pressure compression are the powerful tools used for modulation. Upon applying high pressure to 1,6-diphenyl-1,3,5-hexatriene (DPH), the reduced molecular symmetry results in the originally forbidden S(0) → S(1) transition to become allowed that then leads to a 13-times emission enhancement, and π–π interactions result in piezochromism (red-shifted up to 100 nm). With increasing pressure, high-pressure-stiffened H⋯C/C⋯H and H⋯H interactions enable the DPH molecules to generate a NLC mechanical response (9–15 GPa) with K(b) = −5.8764 TPa(−1) along the b-axis. As a contrast, upon destroying the intermolecular interactions by grinding, the DPH luminescence blue-shifts from cyan to blue. Based on this research, we investigate a new pressure-induced emission enhancement (PIEE) mechanism and enabled NLC phenomena by controlling weak intermolecular interactions. In-depth research of the evolution of intermolecular interactions has important reference value for developing new fluorescence materials and structural materials.