Incorporation of deuterated coronene into cage-like sodalite-type porous organic salts and improvement of room-temperature phosphorescence properties

Abstract Host materials with external heavy atom effects do not change the chemical structures of incorporated luminescent molecules but promote intersystem crossing from the excited singlet state to the excited triplet state, which induces room-temperature phosphorescence (RTP). The deuteration of luminescent molecules suppresses non-radiative deactivation via C–H stretching vibration; therefore, the improvement of both phosphorescence lifetime and quantum efficiency (i.e. isotope effect) is expected. Although a combination of the external heavy atom effect and isotope effect could be expected to improve phosphorescent performances dramatically, an environment with a strong external heavy atom effect (density of iodine atoms ≥0.65 gcm−3) increases non-radiative deactivation via spin-orbit coupling; therefore, the isotope effect is hindered, and the phosphorescent lifetime and quantum efficiency are not usually improved. In the current work, we constructed cage-like sodalite-type porous organic salts (s-POSs) where the density of iodine atoms (0.55 gcm−3) was moderate (0.13 ̶ 0.65 gcm−3). Incorporation of a deuterated representative luminescent molecule such as coronene (coronene-d12) into s-POSs enabled the exerting of both the external heavy atom effect and isotope effect, which successfully improved both RTP lifetime (1.1 times) and quantum efficiency (1.6 times) over those of an incorporated ordinary coronene (coronene-h12).