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Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions
http://hdl.handle.net/2237/26608
http://hdl.handle.net/2237/2660863993f02-5c94-4e78-bf32-d93158b9e721
名前 / ファイル | ライセンス | アクション |
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2017-06-08 | |||||
タイトル | ||||||
タイトル | Theoretical Study on Nonradiative Decay of Dimethylaminobenzonitrile through Triplet State in Gas-Phase, Nonpolar, and Polar Solutions | |||||
言語 | en | |||||
著者 |
Suda, Kayo
× Suda, Kayo× Yokogawa, Daisuke |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | “This document is the Accepted Manuscript version of a Published Work that appeared in final form in [Macromolecules], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [http://pubs.acs.org/articlesonrequest/AOR-ht66TMr53tuJgMICXDTQ].” | |||||
抄録 | ||||||
内容記述 | The control of radiative and nonradiative decay is important in the design of bioimaging molecules. Dimethylaminobenzonitrile (DMABN) is a suitable model molecule to study radiative and nonradiative decay processes and has been investigated by theoretical and experimental methods. However, an atomistic understanding of the nonradiative decay in solutions remains to be achieved. In this study, we investigated the potential-energy surfaces in excited states along the rotation of the dimethylamino group and found that the degeneration between S1 and T1 states is one of the key factors in the nonradiative decay in polar solvents. In addition, we found that the degeneration is precisely controlled by a fundamental physical property, exchange integral. Although DMABN is a simple molecule, the understanding of the nonradiative decay process on the basis of physical properties should be useful in the design of more complicated imaging molecules. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | ACS Publications | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1021/acs.jpcb.6b11654 | |||||
ISSN | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 1520-6106 | |||||
書誌情報 |
en : Journal of Physical Chemistry B 巻 121, 号 9, p. 2164-2170, 発行日 2017-02-16 |
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著者版フラグ | ||||||
値 | author | |||||
URI | ||||||
識別子 | http://doi.org/10.1021/acs.jpcb.6b11654 | |||||
識別子タイプ | DOI | |||||
URI | ||||||
識別子 | http://hdl.handle.net/2237/26608 | |||||
識別子タイプ | HDL |