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

R Lozada Garcia; N Nieuwjaer; Charles Desfrançois; F Lecomte; S Leite; M Manil; M Broquier; G Grégoire

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

R Lozada Garcia ¹ N Nieuwjaer ¹ Charles Desfrançois ¹ F Lecomte ¹ S Leite ¹ M Manil ¹ M Broquier ^{2, 3} G Grégoire ^{2, 3}

1 LPL - Laboratoire de Physique des Lasers

2 ISMO - Institut des Sciences Moléculaires d'Orsay

3 CLUPS - Centre Laser de l'Université Paris Sud

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.

Type de document :

Article dans une revue

Domaine :

Physique [physics] / Physique [physics] / Chimie-Physique [physics.chem-ph]

Physique [physics] / Physique [physics] / Optique [physics.optics]

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https://hal-univ-paris13.archives-ouvertes.fr/hal-01494656
Contributeur : Charles Desfrancois <>
Soumis le : jeudi 23 mars 2017 - 18:05:09
Dernière modification le : jeudi 7 février 2019 - 17:48:28
Document(s) archivé(s) le : samedi 24 juin 2017 - 15:50:36

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

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