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Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter**

Rajamalli, P and Rizzi, F and Li, W and Jinks, MA and Gupta, AK and Laidlaw, BA and Samuel, IDW and Penfold, TJ and Goldup, SM and Zysman-Colman, E (2021) Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter**. In: Angewandte Chemie - International Edition, 60 (21). pp. 12066-12073.

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Official URL: https://doi.org/10.1002/anie.202101870


We 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.

Item Type: Journal Article
Publication: Angewandte Chemie - International Edition
Publisher: John Wiley and Sons Inc
Additional Information: The copyright for this article belongs to the Author.
Keywords: luminescence; mechanical bond; rotaxane; supramolecular chemistry; TADF
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Date Deposited: 04 Aug 2023 04:58
Last Modified: 04 Aug 2023 04:58
URI: https://eprints.iisc.ac.in/id/eprint/82667

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