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Published on: October 24, 2017
Intramolecular Charge Transfer Controls Switching Between Room Temperature Phosphorescence and Thermally Activated
Chengjian Chen1,2, Rongjuan Huang3, Andrei S Batsanov1
1Department of Chemistry, Durham University, Durham, DH1 3LE, UK.
Abstract:
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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