A platform for blue-luminescent carbon-centered radicals

Xin Li, Yi-Lin Wang, Chan Chen, Yan-Yan Ren and Ying-Feng Han ()
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Xin Li: Northwest University
Yi-Lin Wang: Northwest University
Chan Chen: Northwest University
Yan-Yan Ren: Northwest University
Ying-Feng Han: Northwest University

Nature Communications, 2022, vol. 13, issue 1, 1-8

Abstract: Abstract Organic radicals, which have unique doublet spin-configuration, provide an alternative method to overcome the efficiency limitation of organic light-emitting diodes (OLEDs) based on conventional fluorescent organic molecules. Further, they have made great breakthroughs in deep-red and near-infrared OLEDs. However, it is difficult to extend their fluorescence into a short-wavelength region because of the natural narrow bandgap of the organic radicals. Herein, we significantly expand the scope of luminescent radicals by showing a new platform of carbon-centered radicals derived from N-heterocyclic carbenes that produce blue to green emissions (444–529 nm). Time-dependent density functional theory calculations and experimental investigations disclose that the fluorescence originates from the high-energy excited states to the ground state, demonstrating an anti-Kasha behavior. The present work provides an efficient and modular approach toward a library of carbon-centered radicals that feature anti-Kasha’s rule emission, rendering them as potential new emitters in the short-wavelength region.

Date: 2022
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DOI: 10.1038/s41467-022-33130-1

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