Infrared Spectra of Protonated Uracil, Thymine and Cytosine - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue ChemPhysChem Année : 2007

Infrared Spectra of Protonated Uracil, Thymine and Cytosine

Résumé

The gas-phase structures of protonated uracil, thymine, and cytosine are probed by using mid-infrared multiple-photon dissociation (IRMPD) spectroscopy performed at the Free Electron Laser facility of the Centre Laser Infrarouge dOrsay (CLIO), France. Experimental infrared (IR) spectra are recorded for ions that were generated by electrospray ionization, isolated, and then irradiated in a quadrupole ion trap; the results are compared to the calculated infrared absorption spectra of the different low-lying isomers (computed at the B3LYP/6-31++G(d,p) level). For each protonated base, the global energy minimum corresponds to an enolic tautomer, whose infrared absorption spectrum matched very well with the experimental IRMPD spectrum, with the exception of a very weak IRMPD signal observed at about 1800 cm-1 in the case of the three protonated bases. This signal is likely to be the signature of the second-energy-lying oxo tautomer. We thus conclude that within our experimental conditions, two tautomeric ions are formed which coexist in the quadrupole ion trap.
Fichier principal
Vignette du fichier
Salpinetal_revised.pdf (2.33 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-00181160 , version 1 (08-10-2018)

Identifiants

Citer

Jean-Yves Salpin, Sébastien Guillaumont, Jeanine Tortajada, Luke Mac Aleese, Joel Lemaire, et al.. Infrared Spectra of Protonated Uracil, Thymine and Cytosine. ChemPhysChem, 2007, 8 (15), pp.2235-2244. ⟨10.1002/cphc.200700284⟩. ⟨hal-00181160⟩
112 Consultations
328 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More