Investigations of halogenated derivatives of diphenylsulphone thermally activated delayed fluorescent emitters

Vladyslav Ievtukhov; Michal Monka; Estera Hoffman-Rusin; Piotr Bojarski; Illia Serdiuk

doi:10.1117/12.2646463

26 September 2022 Investigations of halogenated derivatives of diphenylsulphone thermally activated delayed fluorescent emitters

Vladyslav Ievtukhov, Michal Monka, Estera Hoffman-Rusin, Piotr Bojarski, Illia Serdiuk

Author Affiliations +

Proceedings Volume PC12208, Organic and Hybrid Light Emitting Materials and Devices XXVI; PC122081F (2022) https://doi.org/10.1117/12.2646463
Event: SPIE Organic Photonics + Electronics, 2022, San Diego, California, United States

Conference Poster

Abstract

Thermally activated delayed fluorescent (TADF) emitters are promising organic materials for application in OLED. The most demanded OLED emitters are the blue ones due to low stability of devices of this color. The main problem is the rate of spin flip transition from the lowest excited triplet to singlet state called reverse intersystem crossing (rISC). The rISC efficiency has the direct influence on the external quantum efficiency (EQE) of OLED. In organic blue emitters the spin-orbit coupling (SOC) is low which causes low rISC and low EQE. In our work, we are looking for the way to increase SOC and rISC in blue TDAF emitters. Previously we found that interactions of triplet and singlet states of charge transfer (CT) nature are playing the key role in rISC [1,2]. The influence of different substituents and their position on 3CT-1CT transition in blue TADF emitter DMAC-DPS was studied. We introduced different substituents at donor, acceptor and linker fragment of DMAC-DPS molecule. The substituent effects on the geometry (torsion angle over the σ-bound between donor and acceptor fragments), energy of states, SOC and 3CT-1CT gaps were analyzed. The impact of triplet states localized on donor and acceptor fragments was also analyzed. Our conclusions are helpful in further understanding of different rISC transitions. References: 1) DOI: 10.1039/d2tc00476c; 2) DOI: 10.1021/acs.jpcb.0c10605. Financial support: V.I is grateful to the National Science Centre, Poland within the Sonata 16 project No. UMO-2020/39/D/ST5/03094. Quantum chemical calculations were performed on the computers of the Wroclaw Centre for Networking and Supercomputing (WCSS), Poland.

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Vladyslav Ievtukhov, Michal Monka, Estera Hoffman-Rusin, Piotr Bojarski, and Illia Serdiuk "Investigations of halogenated derivatives of diphenylsulphone thermally activated delayed fluorescent emitters", Proc. SPIE PC12208, Organic and Hybrid Light Emitting Materials and Devices XXVI, PC122081F (26 September 2022); https://doi.org/10.1117/12.2646463

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