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Resonance-Enhanced Multiphoton Ionization Studies of the Lower Electronically Excited States of Flavone

[Image: see text] The spectroscopic and dynamics properties of flavone—the core chromophore of a wide variety of naturally occurring ultraviolet protecting filters—have been studied under supersonic beam conditions using (1 + 1′) resonance-enhanced two-photon ionization spectroscopic techniques. Exc...

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Autores principales: Fan, Jiayun, Buma, Wybren Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969512/
https://www.ncbi.nlm.nih.gov/pubmed/36776109
http://dx.doi.org/10.1021/acs.jpca.3c00202
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author Fan, Jiayun
Buma, Wybren Jan
author_facet Fan, Jiayun
Buma, Wybren Jan
author_sort Fan, Jiayun
collection PubMed
description [Image: see text] The spectroscopic and dynamics properties of flavone—the core chromophore of a wide variety of naturally occurring ultraviolet protecting filters—have been studied under supersonic beam conditions using (1 + 1′) resonance-enhanced two-photon ionization spectroscopic techniques. Excitation spectra recorded under such conditions are found to differ significantly from previously reported spectra. Pump–probe studies find that intersystem crossing is the dominant decay pathway of the excited singlet manifold, in agreement with previous solution phase studies and quantum chemical predictions for the isolated molecule. Microsolvation studies on flavone–water clusters reveal that the addition of one and two water molecules leads to considerable shifts in excitation energies but that further complexation does not result in further noticeable shifts. The relaxation pathways of the electronically excited states, on the other hand, do not appear to be influenced by interactions with the solvent molecules. Finally, photoionization spectra have enabled the accurate determination of the adiabatic ionization energy to the ground state of the molecular ion—key to the antioxidant properties of flavone—as 65,415 cm(–1) (8.110 eV).
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spelling pubmed-99695122023-02-28 Resonance-Enhanced Multiphoton Ionization Studies of the Lower Electronically Excited States of Flavone Fan, Jiayun Buma, Wybren Jan J Phys Chem A [Image: see text] The spectroscopic and dynamics properties of flavone—the core chromophore of a wide variety of naturally occurring ultraviolet protecting filters—have been studied under supersonic beam conditions using (1 + 1′) resonance-enhanced two-photon ionization spectroscopic techniques. Excitation spectra recorded under such conditions are found to differ significantly from previously reported spectra. Pump–probe studies find that intersystem crossing is the dominant decay pathway of the excited singlet manifold, in agreement with previous solution phase studies and quantum chemical predictions for the isolated molecule. Microsolvation studies on flavone–water clusters reveal that the addition of one and two water molecules leads to considerable shifts in excitation energies but that further complexation does not result in further noticeable shifts. The relaxation pathways of the electronically excited states, on the other hand, do not appear to be influenced by interactions with the solvent molecules. Finally, photoionization spectra have enabled the accurate determination of the adiabatic ionization energy to the ground state of the molecular ion—key to the antioxidant properties of flavone—as 65,415 cm(–1) (8.110 eV). American Chemical Society 2023-02-13 /pmc/articles/PMC9969512/ /pubmed/36776109 http://dx.doi.org/10.1021/acs.jpca.3c00202 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Fan, Jiayun
Buma, Wybren Jan
Resonance-Enhanced Multiphoton Ionization Studies of the Lower Electronically Excited States of Flavone
title Resonance-Enhanced Multiphoton Ionization Studies of the Lower Electronically Excited States of Flavone
title_full Resonance-Enhanced Multiphoton Ionization Studies of the Lower Electronically Excited States of Flavone
title_fullStr Resonance-Enhanced Multiphoton Ionization Studies of the Lower Electronically Excited States of Flavone
title_full_unstemmed Resonance-Enhanced Multiphoton Ionization Studies of the Lower Electronically Excited States of Flavone
title_short Resonance-Enhanced Multiphoton Ionization Studies of the Lower Electronically Excited States of Flavone
title_sort resonance-enhanced multiphoton ionization studies of the lower electronically excited states of flavone
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969512/
https://www.ncbi.nlm.nih.gov/pubmed/36776109
http://dx.doi.org/10.1021/acs.jpca.3c00202
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