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Hamburg 2009 – scientific programme

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MO: Fachverband Molekülphysik

MO 24: Elektronische Spektroskopie

MO 24.5: Talk

Friday, March 6, 2009, 11:45–12:00, VMP 6 HS-G

Investigation of π-π-interaction of pseudo-p-dihydroxy [2.2]paracyclophane with photoionization spectroscopy — •Christof Schon1, Wolfgang Roth1, Ingo Fischer1, Johannes Pfister2, Conrad Kaiser2, Reinhold Fink2, Bernd Engels2, and Christoph Lambert21Institut für Physikalische Chemie, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany — 2Institut für Organische Chemie, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany

Paracyclophanes have conjugated ring systems and the rings are rigidly connected by bridges. Therefore, paracyclophanes are suitable molecules for studying the π-π-interaction between two conjugated ring systems. We have investigated pseudo-p-dihydroxy[2.2]paracyclophane in the gas phase by [1 + 1] REMPI spectroscopy. The origin in the REMPI spectrum is approximately 800 cm−1 blue shifted in comparison to the unsubstituted [2.2]paracyclophane. We explain the shift by a change in the transition density. Theoretical investigations show, that the Davydov-splitting in benzene/ paracyclophane is larger than in phenol/ dihydroxyparacyclophane. We observe rich vibronic progressions in the spectrum of dihydroxy[2.2]paracyclophane. We also observe formation of clusters with H2O. The origin of the cluster with H2O is approximately 220 cm−1 red shifted in comparison to the dihydroxy[2.2]paracyclophane which is in a good agreement with Phenol/H2O or 1-Naphthol/H2O clusters.

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