Theoretical Analysis of Fluorescence Behaviors of the Excited State Proton Transfer in Anthracene-Urea Derivative

  • ONOZAWA Shu
    Graduate School of Pure and Applied Sciences University of Tsukuba, Japan Tennodai 1-1-1, Tsukuba, Ibaraki 305-8571, Japan
  • MATSUI Toru
    Graduate School of Pure and Applied Sciences University of Tsukuba, Japan Tennodai 1-1-1, Tsukuba, Ibaraki 305-8571, Japan
  • NISHIMURA Yoshinobu
    Graduate School of Pure and Applied Sciences University of Tsukuba, Japan Tennodai 1-1-1, Tsukuba, Ibaraki 305-8571, Japan
  • MORIHASHI Kenji
    Graduate School of Pure and Applied Sciences University of Tsukuba, Japan Tennodai 1-1-1, Tsukuba, Ibaraki 305-8571, Japan

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Other Title
  • 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

Abstract

<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>

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