Stromeck-Faderl, Anja and Pentlehner, Dominik and Kensy, Uwe and Dick, Bernhard (2011) High-Resolution Electronic Spectroscopy of the BODIPY Chromophore in Supersonic Beam and Superfluid Helium Droplets. CHEMPHYSCHEM, 12 (10). pp. 1969-1980. ISSN 1439-4235,
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We present the fluorescence excitation and dispersed emission spectra of the parent compound of the boron dipyrromethene (BODIPY) dye class measured in a supersonic beam and isolated in superfluid helium nanodroplets. The gas-phase spectrum of the isolated molecules displays many low-frequency transitions that are assigned to a symmetry-breaking mode with a strongly nonharmonic potential, presumably the out-of-plane wagging mode of the BF(2) group. The data are in good agreement with transition energies and Franck-Condon factors calculated for a double minimum potential in the upper electronic state. The corresponding transitions do not appear in the helium droplet. This is explained with the quasi-rigid first layer of helium atoms attached to the dopant molecule by van der Waals forces. The spectral characteristics are those of a cyanine dye rather than that of an aromatic chromophore.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | DYES; PHTHALOCYANINE; SOLVATION; MOLECULES; SPECTRUM; BORON; ab initio calculations; BODIPY; dyes/pigments; vibrational spectroscopy |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 05 Jun 2020 07:27 |
| Last Modified: | 05 Jun 2020 07:27 |
| URI: | https://pred.uni-regensburg.de/id/eprint/20542 |
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