Frankfurt 2006 – scientific programme

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MO: Molekülphysik

MO 24: High Resolution Spectroscopy

MO 24.1: Talk

Tuesday, March 14, 2006, 14:00–14:15, H10

Determination of the excited state structure of 7-azaindole using a Franck-Condon analysis — •Robert Brause, Michael Schmitt, and Karl Kleinermanns — Institut für physikalische Chemie I, Heinrich-Heine-Universität, Universitätsstrasse 26.43, 40225 Düsseldorf

The change of the 7-azaindole structure upon electronic excitation was determined by a Franck-Condon analysis of the intensities in the fluorescence emission spectra obtained via excitation of six different vibronic bands. A total of 107 emission band intensities were fit, together with the changes of rotational constants of four 7-azaindole isotopomers. The geometry change of the ring framework upon electronic excitation from the electronic ground state to the ¹L_b state (ππ^∗) can be described by an overall expansion of the pyridine ring of 7-azaindole, with minor changes of the pyrrole ring. The resulting geometry changes are interpreted on the basis of ab initio calculations.