Optical and Polarity Control of Donor–Acceptor Conformation and Their Charge-Transfer States in Thermally Activated Delayed-Fluorescence Molecules

dos Santos, Paloma L.; Ward, Jonathan S.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.

Abstract

This study reports two novel D–A–D molecules, 2,7-bis(phenothiazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DPT-TXO2) and 2,7-bis(1-methylphenothiazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DMePT-TXO2), where the latter differs by only a methyl group incorporated on each of the donor units. DMePT-TXO2 in solution and in solid state shows dual charge-transfer (CT) emission. The CT states come from two distinctive conformations between the D and A units. Experiments show that the emission contribution of each state can be controlled by the polarity of the environment and by the excitation energy. Also, how the different conformers can be used to control the TADF mechanism is analyzed in detail. These results are important as they give a more in-depth understanding about the relation between molecular conformation and the TADF mechanism, thereby facilitating the design of new TADF molecules.

Citation

dos Santos, P. L., Ward, J. S., Batsanov, A. S., Bryce, M. R., & Monkman, A. P. (2017). Optical and Polarity Control of Donor–Acceptor Conformation and Their Charge-Transfer States in Thermally Activated Delayed-Fluorescence Molecules. Journal of Physical Chemistry C, 121(30), 16462-16469. https://doi.org/10.1021/acs.jpcc.7b03672

• Journal Article Type: Article
• Acceptance Date: Jul 6, 2017
• Online Publication Date: Jul 6, 2017
• Publication Date: Jul 6, 2017
• Deposit Date: Jul 26, 2017
• Publicly Available Date: Jul 6, 2018
• Journal: Journal of Physical Chemistry C
• Print ISSN: 1932-7447
• Electronic ISSN: 1932-7455
• Publisher: American Chemical Society
• Peer Reviewed: Peer Reviewed
• Volume: 121
• Issue: 30
• Pages: 16462-16469
• DOI: https://doi.org/10.1021/acs.jpcc.7b03672
• Public URL: https://durham-repository.worktribe.com/output/1350803
• Related Public URLs: http://pubs.acs.org/articlesonrequest/AOR-YQrWGV2G3tjsHYIceqwm