Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 57, Issue 50, Pages 16407-16411Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201809945
Keywords
charge transfer; donor-acceptor systems; polymorphism; room temperature phosphorescence; thermally activated delayed fluorescence
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Funding
- EPSRC [EP/L02621X/1]
- EU's Horizon 2020 [674990]
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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.
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