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Molecular Design Approach Managing Molecular Orbital Superposition for High Efficiency without Color Shift in Thermally Activated Delayed Fluorescent Organic Light‐Emitting Diodes

descriptionPublicationkeyboard_double_arrow_right Article , Journal 07 Jan 2019 United States Publisher:WileyJournal:Chemistry – A European Journal, volume 25, pages 1,829-1,834 (issn: 0947-6539, eissn: 1521-3765,

Authors: Mounggon Kim; Seong‐Jun Yoon; Si Hyun Han; Ramin Ansari; John Kieffer; Jun Yeob Lee; Jinsang Kim;

doi: 10.1002/chem.201805616

pmid: 30474278

handle: 2027.42/147817

Molecular Design Approach Managing Molecular Orbital Superposition for High Efficiency without Color Shift in Thermally Activated Delayed Fluorescent Organic Light‐Emitting Diodes

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Abstract

AbstractMolecular design principles of thermally activated delayed fluorescent (TADF) emitters having a high quantum efficiency and a color tuning capability was investigated by synthesizing three TADF emitters with donors at different positions of a benzonitrile acceptor. The position rendering a large overlap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) enhances the quantum efficiency of the TADF emitter. Regarding the orbital overlap, donor attachments at 2‐ and 6‐positions of the benzonitrile were more beneficial than 3‐ and 5‐substitutions. Moreover, an additional attachment of a weak donor at the 4‐position further increased the quantum efficiency without decreasing the emission energy. Therefore, the molecular design strategy of substituting strong donors at the positions allowing a large molecular orbital overlap and an extra weak donor is a good approach to achieve both high quantum efficiency and a slightly increased emission energy.

Country

United States

Related Organizations

Sungkyul University
Korea (Republic of)
University of Michigan–Flint
United States
University of Michigan Ann Arbor
United States
Sungkyunkwan University
Korea (Republic of)
Sungkyul University
Korea (Republic of)

Keywords

energy conversion, TADF, OLEDs, Science, electronic structure, 541, Chemistry, fluorescence

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	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Top 10%