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MO: Fachverband Molekülphysik
MO 2: Elektronische Spektroskopie
MO 2.7: Talk
Monday, March 10, 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.