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Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters

Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.

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Authors

Nadzeya A. Kukhta



Abstract

Four new symmetrical donor–acceptor–donor (D–A–D)-type molecules are reported with diphenylamine (DPA) or 10,11-dihydro-5H-dibenz[b,f]azepine (Az) as electron donors and 9,9-dimethylthioxanthene-S,S-dioxide (TXO2) as the electron acceptor. The donors are attached at different positions on the acceptor core: either para or meta to the sulfone unit. This series provides new insights into the effects of chromophore rigidity/flexibility on the efficiency of thermally activated delayed fluorescence (TADF). The molecules have been characterized by X-ray crystallography, by in-depth photophysical studies, and by theoretical calculations. The clear differences observed in the photophysical properties when using DPA or Az as a donor are shown to originate from different geometries of the donor unit which, in turn, influence the geometry of the nitrogen lone pair and the donating strength of the corresponding fragment. Thus, a para-substituted Az derivative demonstrated blue TADF in polar media, while the compounds with more flexible DPA units did not show delayed fluorescence. To obtain deep-blue emitters, weaker donating units are needed. A more flexible donor unit leads to increased local excited state (donor) LE emission and reduced TADF. However, a certain amount of flexibility has to be present to ensure deep-blue TADF.

Citation

Kukhta, N. A., Batsanov, A. S., Bryce, M. R., & Monkman, A. P. (2018). Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters. Journal of Physical Chemistry C, 122(50), 28564-28575. https://doi.org/10.1021/acs.jpcc.8b10867

Journal Article Type Article
Acceptance Date Nov 28, 2018
Online Publication Date Dec 7, 2018
Publication Date Dec 7, 2018
Deposit Date Jan 10, 2019
Publicly Available Date Mar 29, 2024
Journal Journal of Physical Chemistry C
Print ISSN 1932-7447
Electronic ISSN 1932-7455
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 122
Issue 50
Pages 28564-28575
DOI https://doi.org/10.1021/acs.jpcc.8b10867

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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 https://doi.org/10.1021/acs.jpcc.8b10867





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