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Issue 12, 2017
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Vibronic spectra of protonated hydroxypyridines: contributions of prefulvenic and planar structures

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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.

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

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Publication details

The article was received on 18 Dec 2016, accepted on 01 Mar 2017 and first published on 01 Mar 2017


Article type: Paper
DOI: 10.1039/C6CP08623C
Citation: Phys. Chem. Chem. Phys., 2017,19, 8258-8268
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    Vibronic spectra of protonated hydroxypyridines: contributions of prefulvenic and planar structures

    R. L. Garcia, N. Nieuwjaer, C. Desfrançois, F. Lecomte, S. D. Leite, B. Manil, M. Broquier and G. Grégoire, Phys. Chem. Chem. Phys., 2017, 19, 8258
    DOI: 10.1039/C6CP08623C

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