Solvent Effect on the Fluorescence Spectra of Coumarin 120 in Water: A Combined Quantum Mechanical and Molecular Mechanical Study

DOI Web Site 参考文献46件
  • Tetsuya Sakata
    Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan
  • Katsura Nishiyama
    Faculty of Education, Shimane University, Matsue 690-8504, Japan
  • Haruyuki Nakano
    Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan
  • Yukio Kawashima
    Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan
  • Ryo Akiyama
    Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan
  • Satoshi Yamamoto
    Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan

書誌事項

公開日
2012-01-02
資源種別
journal article
DOI
  • 10.1143/jpsjs.81sa.sa024
公開者
Physical Society of Japan

この論文をさがす

説明

The solvent effect on the steady-state and time-resolved fluorescence spectra of coumarin 120 in water was studied utilizing a molecular dynamics simulation with combined quantum mechanical/molecular mechanical method. The constructed steady-state fluorescence spectra reproduced the Stokes shift of the experimental data. The solvent effects on the spectra were examined by constructing three different spectra: spectra using the entire system, spectra including water molecules only in the first solvent shell, and spectra excluding all water molecules. We found that the variation in C–C bond length makes the largest contribution to the solvent shift in the fluorescence spectrum, which indicates the importance of the electronic structure variation.

収録刊行物

参考文献 (46)*注記

もっと見る

関連プロジェクト

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ