Darmstadt 2008 – scientific programme
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MO: Fachverband Molekülphysik
MO 17: Elektronische Spektroskopie
MO 17.5: Poster
Tuesday, March 11, 2008, 14:00–19:00, Poster C1
CH-π interactions in Benzene-Acetylene clusters — •Matthias Busker, Thomas Häber, Michael Nispel, and Karl Kleinermanns — Institut für Physikalische Chemie I, Heinrich Heine Universtität Düsseldorf, Germany
CH-π interactions are interesting due to their importance for the stabilization of supramolecular aggregates, crystal packing, molecular recognition and folding of proteins. We present new gas phase results on medium-sized clusters of Benzene(B) with Acetylene(A) by using IR-UV double resonance spectroscopy for analysis. The investigated B1A1−4 and B2A1−2 aggregates were structurally assigned based on comparison of their infrared spectra with ab initio calculated frequencies and intensities and by taking the shift of their electronic spectra into account. The obtained cluster structures were compared with the basic structural units of BA 1:1 cocrystals obtained via x-ray analysis.