Vibronic spectra of protonated hydroxypyridines: contributions of prefulvenic and planar structuresElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp08623c

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-...

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Main Authors: Garcia, R. Lozada, Nieuwjaer, N, Desfrançois, C, Lecomte, F, Leite, S. D, Manil, B, Broquier, M, Grégoire, G
Format: Article
Language:English
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Summary: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. The UV photofragmentation spectra of cold protonated hydroxypyridines display well resolved vibrational structures, interpreted with calculations at the CC2 level.
ISSN:1463-9076
1463-9084
DOI:10.1039/c6cp08623c