Tautomerism of Uracil Probed via Infrared Spectroscopy of Singly Hydrated Protonated Uracil

TitleTautomerism of Uracil Probed via Infrared Spectroscopy of Singly Hydrated Protonated Uracil
Publication TypeJournal Article
Year of Publication2008
AuthorsJ.M Bakker, R.K Sinha, T. Besson, M. Brugnara, P. Tosi, J.Y Salpin, P. Maitre
JournalJournal of Physical Chemistry A
Volume112
Number48
Pagination12393-12400
Date PublishedDec
Type of ArticleArticle
ISBN Number1089-5639
Accession NumberISI:000261218100014
KeywordsAFFINITY, AMINO-ACIDS, COMPLEXES, CYTOSINE, FREE-ELECTRON-LASER, GAS-PHASE, IR, MASS-SPECTROMETRY, MULTIPHOTON DISSOCIATION SPECTROSCOPY, NUCLEIC-ACID BASES, SPECTROSCOPY
Abstract

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 ill 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.

URL<Go to ISI>://000261218100014
Division

GUTHz

Department

Molecular Dynamics

PID

31f62777c857ad75a36c33665591884d

Alternate TitleJ. Phys. Chem. A

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