2020年3月
アントラセン-ウレア誘導体の励起状態プロトン移動における 蛍光挙動に関する解析
Journal of Computer Chemistry, Japan
- ,
- ,
- ,
- 巻
- 18
- 号
- 5
- 開始ページ
- 254
- 終了ページ
- 256
- 記述言語
- 日本語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.2477/jccj.2019-0050
- 出版者・発行元
- 日本コンピュータ化学会
<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>
- ID情報
-
- DOI : 10.2477/jccj.2019-0050
- ISSN : 1347-1767