Journal
CHEMPHOTOCHEM
Volume -, Issue -, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cptc.202300035
Keywords
density functional calculations; donor-acceptor systems; optoelectronics; organic light-emitting diodes; solvatochromism
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In this study, the optoelectronic properties of a previously reported blue emitter were thoroughly investigated. Lippert-Mataga analysis of the emission spectra in different solvents revealed charge transfer contributions to the first singlet excited state, S-1. Quantum chemical calculations showed a balanced local excitation and charge transfer character of the S-1 state, and also suggested the presence of a nearby local excitation triplet state, T-2. Finally, organic light emitting diodes (OLED) demonstrated blue emission at 451 nm with an external quantum efficiency of 2% and an internal quantum efficiency of around 10%.
In this work, we perform an in-depth investigation of the optoelectronic properties of a blue emitter (4''-(diphenylamino)-2''-methyl-[1,1':4',1''-terphenyl]-4-carbonitrile), which was reported earlier. Lippert-Mataga analysis of the emission spectra obtained in solvents of varying polarity reveal charge transfer (CT) contributions to the first singlet excited state, S-1. Multi-reference quantum chemical calculations clearly show a balanced local excitation (LE) and CT character of the S-1 state and suggests the presence of a LE triplet state, T-2, in its energetic vicinity. Finally, organic light emitting diodes (OLED) revealed blue emission at 451 nm and an external quantum efficiency (EQE) of 2 %, corresponding to an internal quantum efficiency (IQE) of circa 10 %.
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