Structural analysis of organic device materials by DNP-NMR
| Project/Area Number |
19K15648
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| Research Category |
Grant-in-Aid for Early-Career Scientists
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| Allocation Type | Multi-year Fund |
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| Review Section |
Basic Section 35030:Organic functional materials-related
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| Research Institution | Kyoto University |
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Principal Investigator |
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| Project Period (FY) |
2019-04-01 – 2022-03-31
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| Project Status |
Completed (Fiscal Year 2021)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2021: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2020: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2019: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
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| Keywords | 有機EL / 固体NMR / 動的核偏極 / 非晶 / DNP-NMR / 有機半導体 / 動的核偏極NMR / 有機デバイス / 動的核編極 |
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| Outline of Research at the Start |
本研究では、非晶質材料の局所構造解析に非常に有用な手法である固体NMR、及びその高感度測定法である固体DNP-NMRを用い、これまで未解明であった、有機非晶膜における分子のコンフォメーション、分子間距離、πスタッキング構造などの非晶構造体に内在する局所構造を分子レベルで明らかにし、非晶構造と有機デバイス特性との相関解明を通じて、さらなる高特性材料開発の設計指針を得るとともに、有機デバイスの基礎科学の構築を進める。
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| Outline of Final Research Achievements |
In this study, the torsion angle of the thermally active delayed fluorescent (TADF) material was evaluated by combining dynamic nuclear polarization NMR (DNP-NMR) and quantum chemical calculations. Specifically, by using DNP-NMR, a significant improvement in the sensitivity of the 15N NMR spectrum could be achieved, and a signal with good S / N was obtained in a short time. Based on the results, we succeeded in evaluating the donor and acceptor torsion angle of a TADF emitter. We have also worked on optimizing the measurement conditions of DNP-NMR under static conditions, and have obtained the best sensitivity improvement per unit time when a biradical sensitizer is used. It has become possible to analyze the orientation distribution of the film thickness of about 200 nm actually used in the device. In addition, we were able to develop research on light-irradiated DNP-NMR and conformation analysis including distribution.
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| Academic Significance and Societal Importance of the Research Achievements |
本研究成果はこれまで、不可能であった、非晶膜中における有機EL発光材料のコンフォメーション解析を初めて行った例である。この成果を他の材料へさらに適用することにより、有機EL発光材料の構造ー物性相関の解明につながり、より高効率な材料の開発につながっていくと期待される。
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Report
(4 results)
Research Products
(16 results)
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[Journal Article] Identification of Prime Factors to Maximize the Photocatalytic Hydrogen Evolution of Covalent Organic Frameworks2020
Author(s)
Ghosh, S., Nakada, A., Springer, M.A., Kawaguchi, T., Suzuki, K., Kaji, H., Baburin, I., Kuc, A., Heine, T., Suzuki, H., Abe, R. and Seki, S.
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Journal Title
J. Am. Chem. Soc.
Volume: -
Pages: 9752-9762
DOI
Related Report
Peer Reviewed / Int'l Joint Research
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[Journal Article] Thermally Activated Delayed Fluorescence Benzyl Cellulose Derivatives for Nondoped Organic Light-Emitting Diodes2020
Author(s)
Shibano, M., Ochiai, H., Suzuki, K., Kamitakahara, H., Kaji, H. and Takano, T
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Journal Title
Macromolecules
Volume: -
Issue: 8
Pages: 2864-2873
DOI
Related Report
Peer Reviewed
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