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Article Dans Une Revue Journal of Physical Chemistry A Année : 2008

Tautomerism of uracil probed via IR spectroscopy of singly hydrated uracil.

Résumé

Tautomerism of the nucleobase uracil is characterized in the gas phase through IR photodissociation spectroscopy of singly hydrated protonated uracil created with tandem mass spectrometric methods in a commercially available Fourier transform ion cyclotron resonance mass spectrometer. Protonated uracil ions generated by electrospray ionization are re-solvated in a low-pressure collision cell filled with a mixture of water vapor seeded in argon. Their structure is investigated by IR photodissociation spectroscopy in the NH and OH stretching region (2500−3800 cm−1) with a tabletop IR laser source and in the 1000−2000 cm−1 range with a free-electron laser. In both regions the IR photodissociation spectrum exhibits well-resolved spectral signatures that point to the presence of two different types of structure for monohydrated protonated uracil, which result from the two lowest-energy tautomers of uracil. Ab initio calculations confirm that no water-catalyzed tautomerization occurs during the re-solvation process, indicating that the two protonated forms of uracil directly originate from the electrospray process.
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Dates et versions

hal-00368127 , version 1 (04-10-2018)

Identifiants

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Joost M. Bakker, Thierry Besson, Maurizio Brugnara, Paolo Tosi, Jean-Yves Salpin, et al.. Tautomerism of uracil probed via IR spectroscopy of singly hydrated uracil.. Journal of Physical Chemistry A, 2008, 112 (48), pp.12393-12400. ⟨10.1021/jp806396t⟩. ⟨hal-00368127⟩
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