| Project/Area Number |
26810023
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Organic chemistry
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| Research Institution | Kyoto University (2015)
Osaka University (2014) |
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Principal Investigator |
Sakamaki Daisuke 京都大学, 工学(系)研究科(研究院), 研究員 (60722741)
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| Project Period (FY) |
2014-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2014: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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| Keywords | 有機ラジカル / ビラジカル / 芳香族アミン / アザアセン / 分子磁性 / シングレットビラジカル / 縮合多環芳香族炭化水素 / 非局在型ラジカル / 多中心結合 / 電子スピン共鳴 / SQUID |
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| Outline of Final Research Achievements |
In this study, we investigated the structures and the electronic properties of N-containing conjugated molecules having two radical groups. We prepared a novel triphenylamine derivative having two phenoxyradicals appended to the amino nitrogen atom. X-ray single crystal analysis and the NMR and ESR measurements demonstrates the unexpected closed-shell electronic structure and two unusual C―N bonds with multiple-bond character. The theoretical calculations support the experimental results and predicted a small HOMO-LUMO gap originating from the nonbonding character of the HOMO. This study presents a new strategy to construct molecules with a small singlet-triplet energy gap and HOMO-LUMO gap.
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