Regulation for photophysical properties of thermally activated delayed fluorescence molecules with through-space charge transfer by substitution effect

Thermally activated delayed fluorescence (TADF) molecules with through-space charge transfer (TSCT) have attracted much attention in recent years. The photophysical properties of four TADF molecules with TSCT properties were studied in toluene and in solid phase. Our calculation results indicate that ortho substitution and fluorine substitution not only favor the generation of TADF, but also promote room temperature phosphorescence in solid phase. The results provide deeper understanding of substitution effect on light-emitting properties of TSCT-TADF emitters and may favor the design of TADF emitters.