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MO: Fachverband Molekülphysik
MO 24: Kalte Moleküle
MO 24.6: Poster
Thursday, March 13, 2008, 16:30–19:00, Poster C1
Imino Tautomers of Gas Phase Guanine from Mid-Infrared Laser Spectroscopy — Kai Seefeld, Robert Brause, •Thomas Häber, and Karl Kleinermanns — Institut für Physikalische Chemie, Heinrich-Heine Universität Düsseldorf, 40225 Düsseldorf, Germany
We reinvestigated the assignment of the three major guanine conformers detected via resonance enhanced two-photon ionization (R2PI) in supersonic expansions and present IR/UV double resonance spectra in the spectral region between 1500 and 1800 cm−1. Comparison with B3LYP/TZVPP and RI-MP2/cc-pVQZ calculations shows that both conformers B and C are 7H-keto tautomers with an imine group in 2-position. They differ only in the local conformation of the imine group, but are otherwise identical. Conformer A is an amino-enol form with the OH group in trans position.