Purdy, Michael;
Walton, Jessica R;
Fallon, Kealan J;
Toolan, Daniel TW;
Budden, Peter;
Zeng, Weixuan;
Corpinot, Merina K;
... Bronstein, Hugo; + view all
(2023)
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering.
Journal of the American Chemical Society
10.1021/jacs.3c00971.
(In press).
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Abstract
Singlet fission is a photophysical process that provides a pathway for more efficient harvesting of solar energy in photovoltaic devices. The design of singlet fission candidates is non-trivial and requires careful optimization of two key criteria: (1) correct energetic alignment and (2) appropriate intermolecular coupling. Meanwhile, this optimization must not come at the cost of molecular stability or feasibility for device applications. Cibalackrot is a historic and stable organic dye which, although it has been suggested to have ideal energetics, does not undergo singlet fission due to large interchromophore distances, as suggested by single crystal analysis. Thus, while the energetic alignment is satisfactory, the molecule does not have the desired intermolecular coupling. Herein, we improve this characteristic through molecular engineering with the first synthesis of an aza-cibalackrot and show, using ultrafast transient spectroscopy, that singlet fission is successfully "turned on."
| Type: | Article |
|---|---|
| Title: | Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/jacs.3c00971 |
| Publisher version: | https://doi.org/10.1021/jacs.3c00971 |
| Language: | English |
| Additional information: | © 2023 The Authors. Published by American Chemical Society. Original content in this paper is licensed under the terms of the Creative Commons Attribution 4.0 International (CC BY 4.0) Licence (https://creativecommons.org/licenses/by/4.0/). |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10169652 |
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