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A New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structures
Abstract
In the traditional molecular design of thermally activated delayed fluorescence (TADF) emitters composed of electron‐donor and electron‐acceptor moieties, achieving a small singlet–triplet energy gap (Δ E ST ) in strongly twisted structures usually translates into a small fluorescence oscillator strength, which can significantly decrease the emission quantum yield and limit efficiency in organic light‐emitting diode devices. Here, based on the results of quantum‐chemical calculations on TADF emitters composed of carbazole donor and 2,4,6‐triphenyl‐1,3,5‐triazine acceptor moieties, a new strategy is proposed for the molecular design of efficient TADF emitters that combine a small Δ E ST with a large fluorescence oscillator strength. Since this strategy goes beyond the traditional framework of structurally twisted, charge‐transfer type emitters, importantly, it opens the way for coplanar molecules to be efficient TADF emitters. Here, a new emitter, composed of azatriangulene and diphenyltriazine moieties, is theoretically designed, which is coplanar due to intramolecular H‐bonding interactions. The synthesis of this hexamethylazatriangulene‐triazine (HMAT‐TRZ) emitter and its preliminary photophysical characterizations point to HMAT‐TRZ as a potential efficient TADF emitter.
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Metadata
- Authors
- Chen, X., Tsuchiya, Y., Ishikawa, Y., Zhong, C., Adachi, C., & Brédas, J.
- Affiliations
- Laboratory for Computational and Theoretical Chemistry of Advanced Materials Division of Physical Science and Engineering King Abdullah University of Science and Technology Thuwal 23955‐6900 Saudi Arabia
- Kyushu University (JP)
- Wuhan University (CN)
- Georgia Institute of Technology (US)
- Corresponding author
- Brédas, Jean‐Luc
- Venue
- Advanced Materials
- Publisher
- Wiley
- Published
- 2017-10-17
- Volume
- 29
- Issue
- 46
- ISSN
- 0935-9648 (ISSN-L)
- 1521-4095
- OpenAlex
- W2765541058
- Cited by
- 260
- References
- 33
- Citations by year
- 2026: 8 · 2025: 19 · 2024: 30 · 2023: 37 · 2022: 39 · 2021: 33 · 2020: 27 · 2019: 37 · 2018: 30
- FWCI
- 10.69
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- Locations
- Advanced Materials (publishedVersion)
- PubMed (publishedVersion)
- King Abdullah University of Science and Technology Repository (King Abdullah University of Science and Technology) (submittedVersion)
- Funders
- Japan Science and Technology Agency (JPMJER1305)
- King Abdullah University of Science and Technology
- Topics
- Physical Sciences › Engineering › Electrical and Electronic Engineering › Organic Light-Emitting Diodes Research
- Physical Sciences › Materials Science › Materials Chemistry › Luminescence and Fluorescent Materials
- Physical Sciences › Engineering › Electrical and Electronic Engineering › Organic Electronics and Photovoltaics
- Keywords
- thermally activated delayed fluorescence, TADF emitters, molecular design, singlet-triplet energy gap, twisted structure, carbazole donor, intramolecular hydrogen bonding, organic light-emitting diodes, emission quantum yield
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