Thermally activated delayed fluorescence properties of through-space charge-transfer-type organic molecule depending on solvent polarity

被引：0
|
作者：
Lee, Sang Hoon [1 ,2 ]
Auffray, Morgan [1 ]
Tsuchiya, Youichi [1 ]
Adachi, Chihaya [1 ,2 ,3 ]
机构：
[1] Kyushu Univ, Ctr Organ Photon & Elect Res OPERA, 744 Motooka, Nishi, Fukuoka 8190395, Japan
[2] Kyushu Univ, Dept Appl Chem, 744 Motooka, Nishi, Fukuoka 8190395, Japan
[3] Kyushu Univ, Int Inst Carbon Neutral Energy Res I2CNER, 744 Motooka, Nishi, Fukuoka 8190395, Japan
来源：
CHEMICAL PHYSICS LETTERS | 2025年 / 861卷
关键词：
Thermally Activated Delayed Fluorescence; (TADF); Through-Space Charge-Transfer (TSCT); Through-Bond Charge-Transfer (TBCT); Solvent-dependent photophysics; Reverse Intersystem Crossing (RISC); LIGHT-EMITTING-DIODES; EFFICIENCY;
D O I：
10.1016/j.cplett.2024.141835
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We investigate the photophysical properties of a newly synthesized molecule, 2PhCz-3PhTrz-DMeCz, which has two phenyl carbazole (PhCz) donors and a triphenyl triazine (3PhTrz) acceptor connected by a dimethyl carbazole (DMeCz) spacer. This architecture enables both through-bond charge-transfer (TBCT) and throughspace CT (TSCT) interactions. In polar solvents, the molecule exhibits enhanced photoluminescence quantum yield (PLQY) and reverse intersystem crossing rate (kRISC). Theoretical calculations show that polar solvents reduce the dihedral angle between PhCz and DMeCz in the excited states, increasing hole delocalization across the molecule. Our finding highlights that the conformational change of the target molecule is strongly influenced by the solvent polarity, resulting in distinct photophysical behavior.
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页数：8
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