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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 1Lb 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.

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