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High stability and luminescence efficiency in donor-acceptor neutral radicals not following the Aufbau principle.

Accepted version
Peer-reviewed

Type

Article

Change log

Authors

Guo, Haoqing 
Peng, Qiming 
Chen, Xian-Kai 
Gu, Qinying 
Dong, Shengzhi 

Abstract

With their unusual electronic structures, organic radical molecules display luminescence properties potentially relevant to lighting applications; yet, their luminescence quantum yield and stability lag behind those of other organic emitters. Here, we designed donor-acceptor neutral radicals based on an electron-poor perchlorotriphenylmethyl or tris(2,4,6-trichlorophenyl)methyl radical moiety combined with different electron-rich groups. Experimental and quantum-chemical studies demonstrate that the molecules do not follow the Aufbau principle: the singly occupied molecular orbital is found to lie below the highest (doubly) occupied molecular orbital. These donor-acceptor radicals have a strong emission yield (up to 54%) and high photostability, with estimated half-lives reaching up to several months under pulsed ultraviolet laser irradiation. Organic light-emitting diodes based on such a radical emitter show deep-red/near-infrared emission with a maximal external quantum efficiency of 5.3%. Our results provide a simple molecular-design strategy for stable, highly luminescent radicals with non-Aufbau electronic structures.

Description

Keywords

0306 Physical Chemistry (incl. Structural), 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics, 0307 Theoretical and Computational Chemistry

Journal Title

Nature Materials

Conference Name

Journal ISSN

1476-1122
1476-4660

Volume Title

18

Publisher

Springer Nature

Rights

All rights reserved
Sponsorship
EPSRC (1642195)
EPSRC (1642195)
Engineering and Physical Sciences Research Council (EP/M005143/1)
Engineering and Physical Sciences Research Council (EP/M01083X/1)
Includes EPSRC.
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