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.

doi:10.1021/acs.jpcc.7b03672

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.

Authors

Paloma L. dos Santos

Jonathan S. Ward

Andrei S. Batsanov

Professor Martin Bryce m.r.bryce@durham.ac.uk
Professor

Professor Andrew Monkman a.p.monkman@durham.ac.uk
Professor

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
Related Public URLs	http://pubs.acs.org/articlesonrequest/AOR-YQrWGV2G3tjsHYIceqwm

Files

Accepted Journal Article (1.3 Mb)
PDF

Copyright Statement
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of physical chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/articlesonrequest/AOR-YQrWGV2G3tjsHYIceqwm