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dc.contributor.authorRajamalli, Pachaiyappan
dc.contributor.authorRizzi, Federica
dc.contributor.authorLi, Wenbo
dc.contributor.authorJinks, Michael A.
dc.contributor.authorGupta, Abhishek Kumar
dc.contributor.authorLaidlaw, Beth
dc.contributor.authorSamuel, Ifor David William
dc.contributor.authorPenfold, Thomas J.
dc.contributor.authorGoldup, Stephen M.
dc.contributor.authorZysman-Colman, Eli
dc.date.accessioned2021-05-06T15:30:23Z
dc.date.available2021-05-06T15:30:23Z
dc.date.issued2021-05-11
dc.identifier.citationRajamalli , P , Rizzi , F , Li , W , Jinks , M A , Gupta , A K , Laidlaw , B , Samuel , I D W , Penfold , T J , Goldup , S M & Zysman-Colman , E 2021 , ' Using the mechanical bond to tune the performance of a thermally activated delayed fluorescence emitter ' , Angewandte Chemie International Edition , vol. 60 , no. 21 , pp. 12066-12073 . https://doi.org/10.1002/anie.202101870en
dc.identifier.issn1433-7851
dc.identifier.otherPURE: 273153925
dc.identifier.otherPURE UUID: 7a9e4d9c-9184-4847-bc0f-414b204cea0c
dc.identifier.otherORCID: /0000-0001-7183-6022/work/90952119
dc.identifier.otherWOS: 000646325600001
dc.identifier.otherScopus: 85104498391
dc.identifier.urihttp://hdl.handle.net/10023/23121
dc.descriptionFunding: P.R. acknowledges support from a Marie Skłodowska-Curie Individual Fellowship (MCIF; No. 749557). EZ-C thanks the Leverhulme trust for support (RPG-2016-047). T.J.P acknowledges the EPSRC (EP/P012388/1, EP/T022442/1) for support. EZ-C and IDWS acknowledge support from EPSRC (EP/L017008, EP/P010482/1). SMG thanks the European Research Council (Consolidator Grant Agreement no. 724987) and the Leverhulme Trust (ORPG-2733) for funding and the Royal Society for a Wolfson Research Fellowship. W. L acknowledges support from China Scholarship Council (201708060003).en
dc.description.abstractWe report the characterization of rotaxanes based on a carbazole–benzophenone thermally activated delayed fluorescence luminophore. We find that the mechanical bond leads to an improvement in key photophysical properties of the emitter, notably an increase in photoluminescence quantum yield and a decrease in the energy difference between singlet and triplet states, as well as fine tuning of the emission wavelength, a feat that is difficult to achieve when using covalently bound substituents. Computational simulations, supported by X‐ray crystallography, suggest that this tuning of properties occurs due to weak interactions between the axle and the macrocycle that are enforced by the mechanical bond . This work highlights the benefits of using the mechanical bond to refine existing luminophores, providing a new avenue for emitter optimization that can ultimately increase the performance of these molecules.
dc.format.extent9
dc.language.isoeng
dc.relation.ispartofAngewandte Chemie International Editionen
dc.rightsCopyright © 2021 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.en
dc.subjectLuminescenceen
dc.subjectMechanical bonden
dc.subjectRotaxaneen
dc.subjectSupramolecular chemistryen
dc.subjectTADFen
dc.subjectQC Physicsen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQCen
dc.subject.lccQDen
dc.titleUsing the mechanical bond to tune the performance of a thermally activated delayed fluorescence emitteren
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews.School of Physics and Astronomyen
dc.contributor.institutionUniversity of St Andrews.Centre for Biophotonicsen
dc.contributor.institutionUniversity of St Andrews.Condensed Matter Physicsen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.identifier.doihttps://doi.org/10.1002/anie.202101870
dc.description.statusPeer revieweden
dc.identifier.urlhttps://doi.org/10.26434/chemrxiv.13696483.v1en


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