Javascript verkar inte påslaget? - Vissa delar av Lunds universitets webbplats fungerar inte optimalt utan javascript, kontrollera din webbläsares inställningar.
Du är här

An experimental and theoretical core-level study of tautomerism in guanine

  • Oksana Plekan
  • Vitaliy Feyer
  • Robert Richter
  • Marcello Coreno
  • Gemma Vall-llosera
  • Kevin C. Prince
  • Alexander B. Trofimov
  • Irina L. Zaytseva
  • Tatyana E. Moskovskaya
  • Evgeniy V. Gromov
  • Jochen Schirmer
Publiceringsår: 2009
Språk: Engelska
Sidor: 9376-9385
Publikation/Tidskrift/Serie: The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Volym: 113
Nummer: 33
Dokumenttyp: Artikel i tidskrift
Förlag: The American Chemical Society


The core level photoemission and near edge X-ray photoabsorption spectra of guanine in the gas phase have been measured and the results interpreted with the aid of high level ab initio calculations. Tautomers are clearly identified spectroscopically, and their relative free energies and Boltzmann populations at the temperature of the experiment (600 K) have been calculated and compared with the experimental results and with previous calculations. We obtain good agreement between experiment and the Boltzmann weighted theoretical photoemission spectra, which allows a quantitative determination of the ratio of oxo to hydroxy tautomer populations. For the photoabsorption spectra, good agreement is found for the C 1s and O 1s spectra but only fair agreement for the N 1s edge.


  • Electrical Engineering, Electronic Engineering, Information Engineering


  • Broadband Communication-lup-obsolete
  • ISSN: 1520-5215

Box 117, 221 00 LUND
Telefon 046-222 00 00 (växel)
Telefax 046-222 47 20
lu [at] lu [dot] se

Fakturaadress: Box 188, 221 00 LUND
Organisationsnummer: 202100-3211
Om webbplatsen