Symmetry-Based Design Strategy for Unprecedentedly Fast Decaying Thermally Activated Delayed Fluorescence (TADF). Application to Dinuclear Cu(I) Compounds
Symmetry-Based Design Strategy for Unprecedentedly Fast Decaying Thermally Activated Delayed Fluorescence (TADF). Application to Dinuclear Cu(I) Compounds
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DOI：
10.1021/acs.chemmater.9b00671
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发表时间：
2019-05
影响因子：
8.6
通讯作者：
Alexander Schinabeck;Junya Chen;Liju Kang;Teng Teng-Teng;Herbert H. H. Homeier-Herbert-H.-H.-Homeier-3021970;Alfiya F. Suleymanova;M. Shafikov;R. Yu;Canzhong Lu;H. Yersin
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作者：
Alexander Schinabeck;Junya Chen;Liju Kang;Teng Teng-Teng;Herbert H. H. Homeier-Herbert-H.-H.-Homeier-3021970;Alfiya F. Suleymanova;M. Shafikov;R. Yu;Canzhong Lu;H. Yersin
受分子晶体理论的启发，我们开发了一个模型，合理设计的Cu（I）配合物，以实现短的TADF（热激活延迟荧光）衰减时间。例如，这对于减少OLED稳定性问题和滚降效应是重要的。在此模型的指导下，我们设计了一类新的Cu（I）二聚体，其分子结构为Cu 2（tppb）（PPh 3）2Cl 22（tppb（PPh 3）2 = 1，2，4，5-四（二苯基膦基）苯）.事实上，这类化合物显示出特别短的TADF衰减时间，如在1.5 K ≤ T ≤ 300 K的温度范围内的发光研究所证明的，因此支持所提出的设计策略。该模型进一步支持TD-DFT计算。该策略的一个关键性质是，新的二聚体（s）表现出比相关单体Cu（dppb）（PPh 3）Cl 1（dppb = 1，2-bis（diphenylphosphino）benzene）更快的最低激发单重态和基态之间的跃迁的辐射速率。这甚至是有效的…
Inspired by molecular crystal theory of coupling symmetry-related transition dipole moments, we develop a model for rational design of Cu(I) complexes to achieve short TADF (thermally activated delayed fluorescence) decay times. This is, for example, important to reduce OLED stability problems and roll-off effects. Guided by the model, we design a new class of Cu(I) dimers focusing on Cu2(tppb)(PPh3)2Cl2 2 (tppb(PPh3)2 = 1,2,4,5-tetrakis(diphenylphosphino)benzene). Indeed, this class of compounds shows particularly short TADF decay times as evidenced by luminescence studies over a temperature range of 1.5 K ≤ T ≤ 300 K and, thus, supports the proposed design strategy. The model is further supported by TD-DFT calculations. A key property of the strategy is that the new dimer(s) exhibit a drastically faster radiative rate of the transition between the lowest excited singlet state and the ground state than the related monomer, Cu(dppb)(PPh3)Cl 1 (dppb = 1,2-bis(diphenylphosphino)benzene). This is even valid ...