Insights into proton dynamics in a photofunctional salt-cocrystal continuum; Single-crystal X-ray, neutron diffraction, and Hirshfeld atom refinement

Yano, Yoshio*; Ono, Toshikazu*; Ohara, Takashi   ; Hisaeda, Yoshio*

X-ray diffraction, neutron diffraction, and Hirshfeld atom refinement (HAR) demonstrate that the slight difference of the N...H...O hydrogen bonds (HBs) in crystalline metastable acid-base complexes gives distinct photoluminescent properties. Our results contribute to understanding the complicated relationship between photofunction and proton dynamics in acid-base complexes, helping to create novel photofunctional materials.