Vdovin, Alexander and Slenczka, Alkwin and Dick, Bernhard (2013) Electronic spectroscopy of lumiflavin in superfluid helium nanodroplets. CHEMICAL PHYSICS, 422. pp. 195-203. ISSN 0301-0104,
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We present the fluorescence excitation and dispersed emission spectra of lumiflavin doped into superfluid He nanodroplets. Both spectra show well resolved vibrational structure. The electronic origin transition at 21511 cm (1) is the strongest line in both spectra. Quantum chemical calculations with DFT and CASSCF methods support the assignment of S-1 to a pi pi* excited state. We obtain vibrational frequencies in the ground and lowest excited singlet state that can serve to test the validity of quantum chemical calculations. Multidimensional Franck-Condon factors are in good agreement with the intensities within the vibrational structure for S-0 and S-1. The strongest progression forming mode has a frequency of 164 cm (1) in both states and is assigned to an in-plane bending mode of the whole flavin chromophore with a large amplitude on the two methyl groups at ring I. (C) 2012 Elsevier B. V. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | VIBRATIONAL-MODE ANALYSIS; CONJUGATED MOLECULES; RAMAN-SPECTROSCOPY; SUPERSONIC JET; LOV DOMAIN; DROPLETS; FLAVIN; RIBOFLAVIN; EXCITATION; PHOTORECEPTORS; He droplets; Lumiflavin; High resolution spectroscopy; Vibrational structure; Electronically excited state |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Physical Chemistry I > Prof. Dr. Alkwin Slenzka 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: | 03 Apr 2020 05:16 |
| Last Modified: | 03 Apr 2020 05:16 |
| URI: | https://pred.uni-regensburg.de/id/eprint/16211 |
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