Issue 12, 2017

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

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

Supplementary files

Article information

Article type
Paper
Submitted
18 Dec 2016
Accepted
01 Mar 2017
First published
01 Mar 2017

Phys. Chem. Chem. Phys., 2017,19, 8258-8268

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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