title: IR, Raman, and UV/Vis spectra of corannulene for use in possible interstellar identification.
abstract: The spectroscopic characterization of corannulene (C(20)H(10)) is carried out by several techniques. The high purity of the material synthesized for this study was confirmed by gas chromatography-mass spectrometry (GC-MS). During a high-performance liquid chromatography (HPLC) process, the absorption spectrum of corannulene in the ultraviolet (UV) and visible (vis) ranges is obtained. The infrared (IR) absorption spectrum is measured in CsI pellets, and the Raman scattering spectrum is recorded for pure crystal grains. In addition to room temperature measurements, absorption spectroscopy in an argon matrix at 12 K is also performed in the IR and UV/Vis ranges. The experimental spectra are compared with theoretical Raman and IR spectra and with calculated electronic transitions. All calculations are based on the density functional theory (DFT), either normal or time-dependent (TDDFT). Our results are discussed in view of their possible application in the search for corannulene in the interstellar medium.
authors.affiliation: Laboratory Astrophysics Group of the Max Planck Institute for Astronomy, Institute of Solid State Physics, Friedrich-Schiller Universität Jena, Helmholtzweg 3, 07743 Jena, Germany.
authors.forename: Gaël
authors.initials: G
authors.lastname: Rouillé
authors.forename: Cornelia
authors.initials: C
authors.lastname: Jäger
authors.forename: Mathias
authors.initials: M
authors.lastname: Steglich
authors.forename: Friedrich
authors.initials: F
authors.lastname: Huisken
authors.forename: Thomas
authors.initials: T
authors.lastname: Henning
authors.forename: Gabriele
authors.initials: G
authors.lastname: Theumer
authors.forename: Ingmar
authors.initials: I
authors.lastname: Bauer
authors.forename: Hans-Joachim
authors.initials: HJ
authors.lastname: Knölker