書誌事項
- タイトル別名
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- Theoretical Analysis of Fluorescence Behaviors of the Excited State Proton Transfer in Anthracene-Urea Derivative
説明
<p>We investigated the hydrogen bonding interaction between the anion and nitrogen atom of the urea derivative nPUA (n = 1, 2, 9, where n is the substituted position of the parent anthracene) to examine a proton transfer reaction in the complex in the excited state, which is known as excited-state intermolecular proton transfer (ESPT). We revealed the details of the hydrogen bonding interaction between an anthracene-urea derivative and an acetate anion in the excited state by taking advantage of TD-DFT calculation.</p>
収録刊行物
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- Journal of Computer Chemistry, Japan
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Journal of Computer Chemistry, Japan 18 (5), 254-256, 2019
日本コンピュータ化学会
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詳細情報 詳細情報について
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- CRID
- 1390846609823919744
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- NII論文ID
- 130007830253
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- ISSN
- 13473824
- 13471767
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可