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

Literature Information

Publication Date 2017-03-01
DOI 10.1039/C6CP08623C
Impact Factor 3.676
Authors

R. Lozada Garcia, N. Nieuwjaer, C. Desfrançois, F. Lecomte, S. D. Leite, B. Manil


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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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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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