Absorption and fluorescence spectra of the neutral and anionic green fluorescent protein chromophore: Franck-Condon simulation

Tsung Wei Huang, Ling Yang, Chaoyuan Zhu*, Sheng Hsien Lin

*Corresponding author for this work

Research output: Contribution to journalArticle

13 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)110-116
Number of pages7
JournalChemical Physics Letters
Volume541
DOIs
StatePublished - 10 Jul 2012

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