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Vibronic spectra of protonated hydroxypyridines: contributions of prefulvenic and planar structures

Authors :
R. Lozada Garcia
Michel Broquier
S. Leite
Nicolas Nieuwjaer
Charles Desfrançois
Gilles Grégoire
Bruno Manil
Frédéric Lecomte
Laboratoire de Physique des Lasers (LPL)
Université Paris 13 (UP13)-Institut Galilée-Université Sorbonne Paris Cité (USPC)-Centre National de la Recherche Scientifique (CNRS)
Centre Laser de l'Université Paris Sud (CLUPS)
Université Paris-Sud - Paris 11 (UP11)
Institut des Sciences Moléculaires d'Orsay (ISMO)
Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS)
Université Paris 13 (UP13)-Centre National de la Recherche Scientifique (CNRS)
Source :
Physical Chemistry Chemical Physics, Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (12), pp.8258-8268. ⟨10.1039/C6CP08623C⟩
Publication Year :
2017
Publisher :
HAL CCSD, 2017.

Abstract

International audience; Various hydroxypyridine derivatives are endogenous or synthetic photosensitizers which could contribute to solar radiation damage. The study of their excited states could lead to a better understanding of their action mechanisms. We present here the ultraviolet (UV) spectra of the protonated 2-, 3-and 4-hydroxypyridine. These spectra were obtained with an experimental device coupling an electrospray ion source with a cold quadrupole ion trap and a time of flight mass spectrometer. They display well resolved vibrational structures, with a clear influence of the position of the OH group. These results are interpreted with excited states calculations at the coupled cluster CC2 level.

Details

Language :
English
ISSN :
14639076 and 14639084
Database :
OpenAIRE
Journal :
Physical Chemistry Chemical Physics, Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (12), pp.8258-8268. ⟨10.1039/C6CP08623C⟩
Accession number :
edsair.doi.dedup.....ae3485ec09f867d8038bb588f638fe90
Full Text :
https://doi.org/10.1039/C6CP08623C⟩