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.
|Full text:||(AM) Accepted Manuscript|
Available under License - Creative Commons Attribution Non-commercial No Derivatives 4.0.
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|Publisher Web site:||https://doi.org/10.1016/j.dyepig.2020.109022|
|Publisher statement:||© 2021 This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/|
|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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