Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules

Pershin, Anton; Hall, David; Lemaur, Vincent; Sancho-Garcı́a, J. C.; Muccioli, Luca; Zysman‐Colman, Eli; Beljonne, David; Olivier, Yoann

doi:10.1038/s41467-019-08495-5

articleNature CommunicationsFeb 5, 2019GOLD OA

Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules

APAnton Pershin DHDavid Hall VLVincent Lemaur JCJ. C. Sancho-Garcı́a LMLuca Muccioli

University of Mons · University of St Andrews · +2 more institutions

PubMed

Indexed incrossrefdoajpubmed

Abstract

Unlike conventional thermally activated delayed fluorescence chromophores, boron-centered azatriangulene-like molecules combine a small excited-state singlet-triplet energy gap with high oscillator strengths and minor reorganization energies. Here, using highly correlated quantum-chemical calculations, we report this is driven by short-range reorganization of the electron density taking place upon electronic excitation of these multi-resonant structures. Based on this finding, we design a series of π-extended boron- and nitrogen-doped nanographenes as promising candidates for efficient thermally activated delayed fluorescence emitters with concomitantly decreased singlet-triplet energy gaps, improved…

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Topics & keywords

Topics

Keywords

Fluorescence
Excited state
Exciton
Materials science
Chromophore
Singlet state
Molecule
Excitation

UN Sustainable Development Goals

Affordable and clean energy

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