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Frankfurt 2006 – wissenschaftliches Programm

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MO: Molekülphysik

MO 15: Molecular Clusters II

MO 15.5: Vortrag

Montag, 13. März 2006, 17:30–17:45, H10

Mass-selected Gas Phase Infrared Spectroscopy of NH4+(NH3)n (n=0–7) — •Gabriele Santambrogio1, Mathias Brümmer1, Sara Fontanella1, Yonggang Yang2, Oliver Kühn2, and Knut R. Asmis31Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany — 2Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin, Germany — 3Fritz-Haber-Institut der Max-Planck-Gesellschaft, Abteilung Molekülphysik, Faradayweg 4-6, 14195 Berlin, Germany

The hydrogen bond interaction is key in understanding the structure and properties of water and biomolecules. However, our understanding of strong, low-barrier hydrogen bonds and their central role in enzyme catalysis, biomolecular recognition, proton transfer across biomembranes and proton transport in aqueous media remains sketchy.
Here we present results on the infrared photodissociation spectroscopy of gas phase mass selected NH4+(NH3)n (n=0–7) in the region between 600 and 2000 cm−1. The ammonia umbrella mode is observed at 1300 cm−1 for n=1 and is monotonically red-shifted down to 1100 −1 for n=7. Its position is a measure for the strength of the hydrogen bonds and shows evidence for closing of the first solvation shell after n=4. The threefold degenerate antisymmteric stretch mode of the ammonium ion is observed around 1500 cm-1. Its degenracy is lifted upon solvation until a symmetric solvation shell is reached for n=4. Only the n=1 cluster is predicted to exhibit strong hydrogen bonding and evidence or a shared proton mode is found at 750 cm−1 for n=1. Surprisingly, we also find such spectral signatures for some of the larger cluster ions.

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