Infrared and UV-Vis spectroscopy of mass- and charge-selected, carbon-based species in inert gas cryomatrixes: fullerenes, PAHs and diamondoids

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In order to contribute to the further identification of large carbon-rich molecules in space we intend to perform laboratory spectroscopic measurements on a number of molecular ion systems deposited into low temperature inert gas matrices from low energy (< 10 eV) mass and charge selected ion beams. In particular, far-IR, mid-IR and UV-Vis-NIR absorption spectra will be recorded (over the spectral ranges 50-1000 cm-1, 400-8000 cm-1, 200-1060 nm, respectively). We will also measure vibrational surface-enhanced Raman (SERS) spectra where possible. The molecular systems to be studied in neon and argon matrices (subject also to doping by various electron getters) comprise C60++, C60+++, C70+/-, C70++, C70+++, C58+/-/0, C68+/-/0, C60H32-36+/- , C60H32-36++, C60H12-18+/-, Coronene+/-, Coronene++, Ovalene+/-, Ovalene++, Dicoronylene+/-, Adamantane+, Diamantane+, Triamantane+/Triamantyl+ and Tetramantane+. By considering the effect of two differently polarizable matrixes on these measurements, we will obtain a rough estimate of the corresponding transition energies in gas-phase. These will be compared to astronomical data and quantum chemical prediction (DFT and TD-DFT calculations [Turbomole] to be performed within this project).