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Benzo[1,2-b:4,5-b']dithiophene as a weak donor component for push-pull materials displaying thermally activated delayed fluorescence or room temperature phosphorescence

Cardeynaels, Tom and Paredis, Simon and Danos, Andrew and Vanderzande, Dirk and Monkman, Andrew P. and Champagne, Benoît and Maes, Wouter (2021) 'Benzo[1,2-b:4,5-b']dithiophene as a weak donor component for push-pull materials displaying thermally activated delayed fluorescence or room temperature phosphorescence.', Dyes and pigments., 186 . p. 109022.


In the search for high-performance donor-acceptor type organic compounds displaying thermally activated delayed fluorescence (TADF), triisopropylsilyl-protected benzo[1,2-b:4,5-b']dithiophene (BDT-TIPS) is presented as a novel donor component in combination with two known acceptors: dimethyl-9H-thioxanthenedioxide (TXO2) and dibenzo[a,c]phenazinedicarbonitrile (CNQxP). For a broader comparison, the same acceptors are also combined with the well-studied 9,9-dimethyl-9,10-dihydroacridine (DMAC) donor. Optimized BDT-TIPS-containing structures show calculated dihedral angles of around 50° and well-separated highest occupied and lowest unoccupied molecular orbitals, although varying singlet-triplet energy gaps are observed experimentally. By changing the acceptor moiety and the resulting ordering of excited states, room temperature phosphorescence (RTP) attributed to localized BDT-TIPS emission is observed for TXO2-BDT-TIPS, whereas CNQxP-BDT-TIPS affords a combination of TADF and triplet-triplet annihilation (TTA) delayed emission. In contrast, strong and pure TADF is well-known for TXO2-DMAC, whereas CNQxP-DMAC shows a mixture of TADF and TTA at very long timescales. Overall, BDT-TIPS represents an alternative low-strength donor component for push-pull type TADF emitters that is also able to induce RTP properties.

Item Type:Article
Full text:(AM) Accepted Manuscript
Available under License - Creative Commons Attribution Non-commercial No Derivatives 4.0.
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Publisher statement:© 2021 This manuscript version is made available under the CC-BY-NC-ND 4.0 license
Date accepted:19 November 2020
Date deposited:05 May 2021
Date of first online publication:28 November 2020
Date first made open access:28 November 2022

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