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MO: Fachverband Molekülphysik

MO 2: Elektronische Spektroskopie

MO 2.7: Vortrag

Montag, 10. März 2008, 18:00–18:15, 3F

The structure of cyclic azaindole-water clusters from rotationally resolved electronic spectroscopy — •Michael Schmitt¹, Thi Bao Chau Vu¹, Yuriy Svartsov¹, W. Leo Meerts², and Ivo Kalkman² — ¹Heinich-Heine-Universität Düsseldorf, Institut für Physikalische Chemie — ²Department of Molecular and Laser Physics, Institute for Molecules and Materials, Radboud University Nijmegen

Azaindole has two possible sites for hydrogen bonding, one potentially acting as proton donor, the other as proton acceptor. This behaviour, which is shared with chromophores like 2-pyridone and 7-hydroxyquinoline opens the possibility to form chains of water molecules bridging the two binding sites. Since azaindole may exist in two tautomeric forms, 1H-7-azaindole (1H-pyrrolo[2,3-b]pyridine) and 7H-7-azaindole (7H-pyrrolo[2,3-b]pyridine) these water chains may be capable of inducing a proton transfer which interconverts the two tautomeric forms. The barriers for this proton transfer depend strongly on the number of water molecules in the chain and on the electronic state. In the talk we present our latest results on the structure and tunneling motions in the water clusters of azaindole from a comparison of rotationally resolved electronic spectroscopy to ab initio calculations.