It is strongly believed that further progress in organic light emitting technologies depends on if we can develop heavy-metal-free materials with fast reverse intersystem crossing (rISC) and fluorescence rates in subnanosecond domain. Nowadays, the most promising uprising all-organic OLED technologies including those using thermally activated delayed fluorescence (TADF) phenomenon and TADF combined with Förster resonance energy transfer (FRET), a so-called “hyperfluorescence”, rely on the donor-acceptor TADF materials with the fastest rISC. However, understanding of mechanism of basic phostophysical processes in such materials still remains poorly investigated. Obviously, general theory of TADF is also highly required.
This presentation will focus on the features of popular and most demanded blue and red TADF emitters, which deviate from our understanding within the classic photophysical model. An alternative TADF model will be described [1, 2], which explains these deviations suggesting that spin-flip transitions between the singlet (1CT) and triplet (3CT) states of the charge-transfer character are actually not as “forbidden” as stated by selection rules. The presented model emphasizes the importance of the 3CT-1CT transition, which molecular vibrations/rotations are crucial for rISC and which aspects of molecular design can improve TADF materials.
Bibliography
[1]DOI: 10.1039/d2tc00476c;
[2]DOI: 10.1021/acs.jpcb.0c10605
Financial support: LIDER XI grant (LIDER/47/0190/L-11/19/NCBR/2020) and CHEMFIZ program (WND-POWR.03.02.00-00-I059/1) of National Centre for Research and Development. Sonata 16 project (UMO-2020/39/D/ST5/03094) of National Science Centre, Poland. DFT calculations were performed on the computers of the Wroclaw Centre for Networking and Supercomputing (WCSS), Poland.
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