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

为了有助于进一步识别空间中的大型富碳分子，我们打算对低能量（< 10 eV）质量和电荷选择离子束沉积到低温惰性气体基质中的许多分子离子系统进行实验室光谱测量。特别是，远红外、中红外和紫外-可见-近红外吸收光谱将被记录（分别在50-1000 cm- 1,400 -8000 cm- 1,200 -1060 nm的光谱范围内）。我们还将在可能的情况下测量振动表面增强拉曼（SERS）光谱。在氖气和氩气基质中研究的分子体系包括C60++、C60+++、C70++、C70++、C58+/-/0、C68+/- 0、C60H32-36+ -、C60H32-36++、C60H12-18+/-、冠烯+/-、冠烯++、烯烯+/-、烯烯++、烯烯++、二烯烯+/-、Adamantane+、Diamantane+、Triamantane+/Triamantyl+和四烷烷+。通过考虑两种不同极化矩阵对这些测量的影响，我们将得到气相中相应转变能量的粗略估计。这些数据将与天文数据和量子化学预测（DFT和TD-DFT计算[Turbomole]将在本项目中执行）进行比较。

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).