Regio- and conformational isomerization critical to design of efficient thermally-activated delayed fluorescence emitters.

Etherington, MK and Franchello, F and Gibson, J and Northey, T and Santos, J and Ward, JS and Higginbotham, HF and Data, P and Kurowska, A and Dos, Santos PL and Graves, DR and Batsanov, AS and Monkman, AP (2017) Regio- and conformational isomerization critical to design of efficient thermally-activated delayed fluorescence emitters. Nature Communications, 8: 14987. ISSN 2041-1723

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Abstract

Regio- and conformational isomerization are fundamental in chemistry, with profound effects upon physical properties, however their role in excited state properties is less developed. Here two regioisomers of bis(10H-phenothiazin-10-yl)dibenzo[b,d]thiophene-S,S-dioxide, a donor–acceptor–donor (D–A–D) thermally-activated delayed fluorescence (TADF) emitter, are studied. 2,8-bis(10H-phenothiazin-10-yl)dibenzo[b,d]thiophene-S,S-dioxide exhibits only one quasi-equatorial conformer on both donor sites, with charge-transfer (CT) emission close to the local triplet state leading to efficient TADF via spin-vibronic coupling. However, 3,7-bis(10H-phenothiazin-10-yl)dibenzo[b,d]thiophene-S,S-dioxide displays both a quasi-equatorial CT state and a higher-energy quasi-axial CT state. No TADF is observed in the quasi-axial CT emission. These two CT states link directly to the two folded conformers of phenothiazine. The presence of the low-lying local triplet state of the axial conformer also means that this quasi-axial CT is an effective loss pathway both photophysically and in devices. Importantly, donors or acceptors with more than one conformer have negative repercussions for TADF in organic light-emitting diodes.

Item Type:
Journal Article
Journal or Publication Title:
Nature Communications
Uncontrolled Keywords:
Research Output Funding/yes_externally_funded
Subjects:
?? yes - externally fundedgeneral biochemistry,genetics and molecular biologygeneral chemistrygeneral physics and astronomybiochemistry, genetics and molecular biology(all)chemistry(all)physics and astronomy(all) ??
ID Code:
193714
Deposited By:
Deposited On:
18 May 2023 10:45
Refereed?:
Yes
Published?:
Published
Last Modified:
16 Jul 2024 12:03