Color-Tuning Mechanism in Firefly Luminescence: Theoretical Studies on Fluorescence of Oxyluciferin in Aqueous Solution Using Time Dependent Density Functional Theory

The first singlet excited state geometries of various isomers and tautomers of firefly oxyluciferin (OxyLH2), as well as their fluorescence spectra in aqueous solution, were studied using time dependent density functional theory (TDDFT). With changing pH in aqueous solution, three fluorescence peaks...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2008-10, Vol.112 (40), p.9796-9800
Hauptverfasser:	Li, Zhong-wei, Ren, Ai-min, Guo, Jing-fu, Yang, Tianxiao, Goddard, John D, Feng, Ji-kang
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Molecular Structure, Quantum Chemistry, General Theory Animals Color Electrons Fireflies Fluorescence Indoles - chemistry Pyrazines - chemistry Quantum Theory Solutions Time Factors Water - chemistry
Online-Zugang:	Volltext
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