title: Determination of the excited-state structure of 7-azaindole-water cluster using a Franck-Condon analysis.
abstract: The change of the 7-azaindole-water cluster structure upon electronic excitation was determined by a Franck-Condon analysis of the intensities in the fluorescence emission spectra obtained via excitation of five different vibronic bands. A total of 105 emission band intensities were fitted, together with the changes of rotational constants of one isotopomer. These rotational constants have been obtained from a fit to the rovibronic contour of the cluster. The geometry change upon electronic excitation to the pi pi* state can be described by a strong and asymmetric shortening of the hydrogen bonds and a deformation of both the pyridine and the pyrrole rings of 7-azaindole. The resulting geometry changes are interpreted on the basis of ab initio calculations.
authors.affiliation: Institut für Physikalische Chemie, Heinrich-Heine-Universität, D-40225 Düsseldorf, Germany.
authors.forename: Robert
authors.initials: R
authors.lastname: Brause
authors.forename: Daniel
authors.initials: D
authors.lastname: Krügler
authors.forename: Michael
authors.initials: M
authors.lastname: Schmitt
authors.forename: Karl
authors.initials: K
authors.lastname: Kleinermanns
authors.forename: Atsushi
authors.initials: A
authors.lastname: Nakajima
authors.forename: Terry A
authors.initials: TA
authors.lastname: Miller