Tautomerism in cytosine and uracil: an experimental and theoretical core level spectroscopic study
Författare
Summary, in English
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.
Publiceringsår
2009
Språk
Engelska
Sidor
5736-5742
Publikation/Tidskrift/Serie
The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
Volym
113
Issue
19
Dokumenttyp
Artikel i tidskrift
Förlag
The American Chemical Society (ACS)
Ämne
- Electrical Engineering, Electronic Engineering, Information Engineering
Status
Published
Forskningsgrupp
- Broadband Communication
ISBN/ISSN/Övrigt
- ISSN: 1520-5215