Vibronic spectra of protonated hydroxypyridines: contributions of prefulvenic and planar structures
R Lozada Garcia1, N Nieuwjaer, C Desfrançois
1Laboratoire de Physique des Lasers, CNRS, Université Paris 13, Sorbonne Paris Cité, 93430 Villetaneuse, France. nicolas.nieuwjaer@univ-paris13.fr.
Abstract:
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.
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