Erlangen 2018 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 2: Biology Related Molecules

MO 2.7: Vortrag

Montag, 5. März 2018, 12:00–12:15, PA 1.150

Rotationally Resolved Electronic Stark Spectroscopy of 3-Cyanoindole and the 3-Cyanoindole-water Complex — •Michael Schneider, Marie-Luise Hebestreit, Christian Henrichs, and Michael Schmitt — Insitute for Physical Chemistry I, Heinrich-Heine-Universität, Düsseldorf, Germany

The electronic origin of 3-cyanoindole has been investigated using high resolution laser induced fluorescence spectroscopy (HRLIF) to analyze its electronic nature. By means of evolutionary algorithms, molecular parameters like the rotational constants in the electronic ground and first excited state and the orientation of the transition dipole moment were determined. To investigate the permanent dipole moments in the ground and first excited state a homogeneous static electric field was applied, which lifts the M degeneracy by the Stark effect and results in band splittings and shifts.
To understand how solvation influences the electronic nature of the excited state, the binary 3-cyanoindole water cluster was investigated. The different molecular parameters were used to assign the band to optimized CC2-pVTZ structures by comparing the experimental and calculated ab initio values.

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