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


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2019-12

AUTHORS

Anton Pershin, David Hall, Vincent Lemaur, Juan-Carlos Sancho-Garcia, Luca Muccioli, Eli Zysman-Colman, David Beljonne, Yoann Olivier

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 oscillator strengths and core rigidity compared to previously reported structures, permitting both emission color purity and tunability across the visible spectrum. More... »

PAGES

597

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/s41467-019-08495-5

DOI

http://dx.doi.org/10.1038/s41467-019-08495-5

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1111906878

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/30723203


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