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

为了有助于进一步确定大的富碳分子在空间中，我们打算进行实验室光谱测量的一些分子离子系统沉积到低温惰性气体矩阵从低能量（< 10 eV）的质量和电荷选择的离子束。特别是，将记录远红外、中红外和UV-Vis-NIR吸收光谱（分别在50-1000 cm-1、400-8000 cm-1、200-1060 nm的光谱范围内）。我们也将尽可能地测量振动表面增强拉曼（Sers）光谱。在氖和氩基体中研究的分子系统（也经受各种电子吸气剂的掺杂）包括C60++、C60+、C70+/-、C70 ++、C70+、C58+/-/0、C68 +/-/0、C60 H32 -36+/-、C60 H32 - 36++、C60 H12 -18+/-、Coronene+/-、Coronene++、Ovalene+/-，卵烯++、二酮烯+/-、金刚烷+、金刚烷+、三金刚烷+/三金刚烷基+和四金刚烷+。通过考虑两种不同极化矩阵对这些测量的影响，我们将得到相应的气相跃迁能的粗略估计。这些将与天文数据和量子化学预测进行比较（DFT和TD-DFT计算[Turbomole]将在本项目中进行）。

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).