Excited-State Proton Transfer in Indigo

Excited-state proton transfer (ESPT) in Indigo and its monohexyl-substituted derivative (Ind and NHxInd, respectively) in solution was investigated experimentally as a function of solvent viscosity, polarity, and temperature, and theoretically by time-dependent density functional theory (TDDFT) calc...

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Bibliographic Details
Published in:The journal of physical chemistry. B 2017-03, Vol.121 (10), p.2308-2318
Main Authors: Pina, J, Sarmento, Daniela, Accoto, Marco, Gentili, Pier Luigi, Vaccaro, Luigi, Galvão, Adelino, Seixas de Melo, J. Sérgio
Format: Article
Language:English
Subjects:
Activation
Activation energy
Decay
Emission
Fluorescence
Indigo
Mathematical analysis
Viscosity
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Summary:Excited-state proton transfer (ESPT) in Indigo and its monohexyl-substituted derivative (Ind and NHxInd, respectively) in solution was investigated experimentally as a function of solvent viscosity, polarity, and temperature, and theoretically by time-dependent density functional theory (TDDFT) calculations. Although a single emission band is observed, the fluorescence decays (collected at different wavelengths along the emission band using time-correlated single photon counting (TCSPC)) are biexponential, with two identical decay times but different pre-exponential factors, which is consistent with the existence of excited-state keto and enol species. The femtosecond (fs)-transient absorption data show that two similar decay components are present, in addition to a shorter (
ISSN:1520-6106
1520-5207
DOI:10.1021/acs.jpcb.6b11020