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Spectroscopy of Dibenzorubicene: Experimental Data for a Search in Interstellar Spectra
Authors:Dr. Gaël Rouillé  Mathias Steglich  Dr. Cornelia Jäger  Prof. Dr. Friedrich Huisken  Prof. Dr. Thomas Henning  Gabriele Theumer  Dr. Ingmar Bauer  Prof. Dr. Hans‐Joachim Knölker
Affiliation:1. Laboratory Astrophysics Group of the Max Planck Institute for Astronomy at the Friedrich‐Schiller‐Universit?t Jena, Institute of Solid State Physics, Helmholtzweg 3, D‐07743 Jena (Germany), Fax: (+49)?3641‐9‐47308;2. Max‐Planck‐Institut für Astronomie, K?nigstuhl 17,D‐69117 Heidelberg (Germany);3. Department Chemie, Technische Universit?t Dresden, Bergstrasse 66,D‐01069 Dresden (Germany)
Abstract:We report on the characterization of dibenzo[cde,opq]rubicene (C30H14). The molecule was studied in solution at room temperature with absorption spectroscopy in the visible (vis) and ultraviolet (UV) wavelength ranges, and with emission spectroscopy. The infrared (IR), visible, ultraviolet, and vacuum ultraviolet (VUV) absorption spectra of a thin film were measured also at room temperature. In addition, the UV/vis absorption spectrum was measured at cryogenic temperatures using the matrix isolation spectroscopy technique. The interpretation of spectra was supported by theoretical calculations based on semiempirical and ab initio models, as well as on density functional theory. Finally, the results of the laboratory study were compared with interstellar spectra.
Keywords:ab initio calculations  density functional calculations  IR spectroscopy  polycyclic aromatic hydrocarbons  UV/Vis spectroscopy
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