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Intramolecular charge transfer controls switching between room temperature phosphorescence and thermally activated delayed fluorescence.

Chen, Chengjian and Huang, Ronjguan and Batsanov, Andrei and Pander, Piotr and Hsu, Yu-Ting and Chi, Zhenguo and Dias, Fernando and Bryce, Martin Robert (2018) 'Intramolecular charge transfer controls switching between room temperature phosphorescence and thermally activated delayed fluorescence.', Angewandte Chemie., 130 (50). pp. 16645-16649.


Chemical modification of phenothiazine–benzophenone derivatives is shown to tune the emission behavior from triplet states by selecting the molecular 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 highly efficient 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.

Item Type:Article
Full text:(AM) Accepted Manuscript
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Publisher statement:This is the peer reviewed version of the following article: Chen, Chengjian, Huang, Ronjguan, Batsanov, Andrei, Pander, Piotr, Hsu, Yu-Ting, Chi, Zhenguo, Dias, Fernando & Bryce, Martin Robert (2018). Intramolecular Charge Transfer Controls Switching Between Room Temperature Phosphorescence and Thermally Activated Delayed Fluorescence. Angewandte Chemie 130(50): 16645-16649, which has been published in final form at This article may be used for non-commercial purposes in accordance With Wiley-VCH Terms and Conditions for self-archiving.
Date accepted:18 October 2018
Date deposited:29 October 2018
Date of first online publication:15 November 2018
Date first made open access:15 November 2019

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