Tautomerism in cytosine and uracil: An experimental and theoretical core level spectroscopic study (Articolo in rivista)

Type
Label
  • Tautomerism in cytosine and uracil: An experimental and theoretical core level spectroscopic study (Articolo in rivista) (literal)
Anno
  • 2009-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp900998a (literal)
Alternative label
  • V. Feyer a; O. Plekan a; R. Richter a; M. Coreno b; G. Vall-llosera c; K.C. Prince a,d; A. B. Trofimov e; I.L. Zaytseva e; T.E. Moskovskaya e; E.V. Gromov e; J. Schirmer f (2009)
    Tautomerism in cytosine and uracil: An experimental and theoretical core level spectroscopic study
    in The journal of physical chemistry. A
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • V. Feyer a; O. Plekan a; R. Richter a; M. Coreno b; G. Vall-llosera c; K.C. Prince a,d; A. B. Trofimov e; I.L. Zaytseva e; T.E. Moskovskaya e; E.V. Gromov e; J. Schirmer f (literal)
Pagina inizio
  • 5736 (literal)
Pagina fine
  • 5742 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 113 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 19 (literal)
Note
  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • a Sincrotrone Trieste, in Area Science Park, I-34012 BasoVizza (Trieste), Italy b CNR-IMIP, Montelibretti (Rome), I-00016 Italy c Department of Physics, School of Engineering Science, Royal Institute of Technology, 10691-Stockholm, Sweden d Laboratorio Nazionale TASC, INFM-CNR, 34012 Trieste, Italy e Laboratory of Quantum Chemistry, Irkutsk State UniVersity, 664003 Irkutsk, Russia, FaVorsky Institute of Chemistry, SB RAS, 664033 Irkutsk, Russia, f Theoretische Chemie, Physikalisch-Chemisches Institut, UniVersita¨t Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany (literal)
Titolo
  • Tautomerism in cytosine and uracil: An experimental and theoretical core level spectroscopic study (literal)
Abstract
  • The O, N, and C 1s core level photoemission spectra of the nucleobases cytosine and uracil have been measured in the vapor phase, and the results have been interpreted via theoretical calculations. Our calculations accurately predict the relative binding energies of the core level features observed in the experimental photoemission results and provide a full assignment. In agreement with previous work, a single tautomer of uracil is populated at 405 K, giving rise to relatively simple spectra. At 450 K, three tautomers of cytosine, one of which may consist of two rotamers, are identified, and their populations are determined. This resolves inconsistencies between recent laser studies of this molecule in which the rare imino-oxo tautomer was not observed and older microwave spectra in which it was reported. (literal)
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