標題: Absorption and fluorescence spectra of the neutral and anionic green fluorescent protein chromophore: Franck-Condon simulation
作者: Huang, Tsung-wei
Yang, Ling
Zhu, Chaoyuan
Lin, Sheng Hsien
應用化學系分子科學碩博班
Institute of Molecular science
公開日期: 10-七月-2012
摘要: Absorption and fluorescence spectra of the neutral and anionic green fluorescent protein (GFP) chromophore, namely p-hydroxybenzylideneimidazolidinone (p-HBDI), have been simulated using the Franck-Condon factors including inhomogeneous broadening of solvent effect. Ground and the first excited states were calculated by time dependent density functional theory with and without the polarizable continuum model environment. Simulated peak of the neutral/anionic p-HBDI at 380 nm (423 nm)/421 nm agrees with experiment value 370 nm (434 nm)/419 nm for absorption (fluorescence) spectrum. Simulated width of the neutral/anionic p-HBDI at 0.51 eV (0.54 eV)/0.57 eV agrees with experiment value 0.54 eV (0.66 eV)/0.56 eV for absorption (fluorescence) spectrum. (C) 2012 Elsevier B. V. All rights reserved.
URI: http://hdl.handle.net/11536/16436
ISSN: 0009-2614
期刊: CHEMICAL PHYSICS LETTERS
Volume: 541
Issue: 
結束頁: 110
顯示於類別:期刊論文


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