Intramolecular Charge Transfer Controls Switching Between Room Temperature Phosphorescence and Thermally Activated Delayed Fluorescence
Intramolecular Charge Transfer Controls Switching Between Room Temperature Phosphorescence and Thermally Activated Delayed Fluorescence
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DOI：
10.1002/anie.201809945
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发表时间：
2018-12-10
影响因子：
16.6
通讯作者：
Bryce, Martin R.
中科院分区：
文献类型：
--
作者：
Chen, Chengjian;Huang, Rongjuan;Bryce, Martin R.
吩噻嗪-二苯甲酮衍生物的化学修饰通过选择分子内电荷转移（ICT）态的几何构型来调谐三重态的发射行为。平面ICT（PICT）和扭曲ICT（TICT）的基本原理被证明可以选择性地获得室温磷光（RTP）或热激活延迟荧光（TADF），分别。时间分辨光谱和含时密度泛函理论（TD-DFT）的研究多晶单晶的PICT和TICT状态的基础物理中的作用。这导致RTP分子OPM，其中三重态贡献89%的发光，以及异构TADF分子OMP，其中三重态贡献95%的发光。
Chemical modification of phenothiazine-benzophenone derivatives tunes the emission behavior from triplet states by selecting the geometry of the intramolecular charge transfer (ICT) state. A fundamental principle of planar ICT (PICT) and twisted ICT (TICT) is demonstrated to obtain selectively either room temperature phosphorescence (RTP) or thermally activated delayed fluorescence (TADF), respectively. Time-resolved spectroscopy and time-dependent density functional theory (TD-DFT) investigations on polymorphic single crystals demonstrate the roles of PICT and TICT states in the underlying photophysics. This has resulted in a RTP molecule OPM, where the triplet states contribute with 89% of the luminescence, and an isomeric TADF molecule OMP, where the triplet states contribute with 95% of the luminescence.