3677103
doi
10.1021/acs.joc.8b02848
oai:zenodo.org:3677103
Roberto S. Nobuyasu
Durham University
Mark A. Fox
Durham University
Juan A. Aguilar
Durham University
David Hall
Durham University
Andrei S. Batsanov
Durham University
Zhongjie Ren
Beijing University of Chemical Technology
Fernando B. Dias
Durham University
Martin R. Bryce
Durham University
Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All- Organic Donor−Acceptor Systems
Jonathan S. Ward
Durham University
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
<p>Thermally activated delayed fluorescence (TADF) and room-temperature phosphorescence (RTP) are known to occur in organic D–A–D and D–A systems where the donor group contains the phenothiazine unit and the acceptor is dibenzothiophene-<em>S</em>,<em>S</em>-dioxide. This study reports the synthesis and characterization of one new D–A and four new D–A–D systems with methoxy groups on the phenothiazine to examine their effect on emission properties in the zeonex matrix. X-ray analysis and highly specialized NMR techniques were used to characterize asymmetric methoxy-substituted derivative <strong>3b</strong>, which is chiral at N because of an extremely high flipping barrier at the phenothiazine N atom. Based on hybrid-density functional theory computations, the methoxy substituents tune the relative stabilities of the axial conformers with respect to equatorial conformers of the phenothiazine units, depending on their substitution position. This conformational effect significantly influences both TADF and RTP contributions compared to the parent D–A–D system. It is also demonstrated that the equatorial forms of D–A–D and D–A systems in zeonex exhibit TADF. Additionally, the methoxy groups promote luminescence in D–A–D systems where only axial conformers exist. This work reveals further design opportunities for more efficient TADF and RTP molecules.</p>
Zenodo
2019-03-26
info:eu-repo/semantics/article
3677102
award_title=Development of high-performance, hyperfluorescence OLEDs for use in display applications and solid state lighting; award_number=732013; award_identifiers_scheme=url; award_identifiers_identifier=https://cordis.europa.eu/projects/732013; funder_id=00k4n6c32; funder_name=European Commission;
1582269654.041611
7582354
md5:1bc2fed4034ff357c20de20e8748badc
https://zenodo.org/records/3677103/files/acs.joc.8b02848.pdf
public