title: 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.
authors.affiliation: Laboratoire de Physique des Lasers, CNRS, Université Paris 13, Sorbonne Paris Cité, 93430 Villetaneuse, France. nicolas.nieuwjaer@univ-paris13.fr.
authors.forename: R Lozada
authors.initials: RL
authors.lastname: Garcia
authors.forename: N
authors.initials: N
authors.lastname: Nieuwjaer
authors.forename: C
authors.initials: C
authors.lastname: Desfrançois
authors.forename: F
authors.initials: F
authors.lastname: Lecomte
authors.forename: S D
authors.initials: SD
authors.lastname: Leite
authors.forename: B
authors.initials: B
authors.lastname: Manil
authors.forename: M
authors.initials: M
authors.lastname: Broquier
authors.forename: G
authors.initials: G
authors.lastname: Grégoire