Theoretical insights into luminescence mechanism of Naphthyridine-based thermally activated delayed fluorescence emitter with aggregation-induced emission

被引：6
|
作者：
Zhang, Qingqing [1 ]
Yang, Yonggang [1 ,2 ]
Liu, Yufang [1 ,2 ]
机构：
[1] Henan Normal Univ, Sch Phys, Xinxiang 453007, Henan, Peoples R China
[2] Henan Key Lab Infrared Mat & Spectrum Measures & A, Xinxiang 453007, Henan, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2023年 / 817卷
基金：
中国国家自然科学基金;
关键词：
Thermally activated delayed fluorescence; Aggregation -induced emission; Non -radiative energy consumption; Reverse intersystem crossing process; DENSITY-FUNCTIONAL THEORY; SINGLET; DIODES; ENERGY;
D O I：
10.1016/j.cplett.2023.140407
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：
The luminescent properties of Naphthyridine-based thermally activated delayed fluorescence (TADF) emitter (CZ-ND) have been studied theoretically. The smaller energy difference (0.16 eV) and larger reverse intersystem crossing (RISC) rate (1.43 x 105 s-1) in solid state are conducive to the RISC process. The enhanced spin-orbit coupling (0.233 cm-1) between S1 (1CT) and T1 (3HLCT) states in solid state promotes the ISC process. The decreased of Huang-Rhys factor and reorganization energy in solid state lead to the reduction of the non -radiative energy consumption. Furthermore, the improved fluorescence efficiency in solid state (18.9 %) further reveals the aggregation-induced emission (AIE) property.
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页数：7
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