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

惰性气体冷冻基质中质量和电荷选择的碳基物质的红外和紫外-可见光谱：富勒烯、PAH 和类金刚石

• 批准号: 253181340
• 负责人: Professor Dr. Manfred Kappes
• 金额: --
• 依托单位: Abteilung Physikalische Chemie mikroskopischer Systeme
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2014
• 资助国家: 德国
• 起止时间: 2013-12-31 至 2017-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/253181340?language=en
• 关键词: Infrared; UV; Vis; spectroscopy; mass

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).

为了有助于进一步识别太空中的大型富碳分子，我们打算对由低能量（< 10 eV）质量和电荷选择的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，将记录远红外、中红外和紫外-可见-近红外吸收光谱（光谱范围分别为 50-1000 cm-1、400-8000 cm-1、200-1060 nm）。我们还将尽可能测量振动表面增强拉曼 (SERS) 光谱。氖和氩基质中待研究的分子系统（也受到各种电子吸收剂的掺杂）包括C60++、C60+++、C70+/-、C70++、C70+++、C58+/-/0、C68+/-/0、C60H32-36+/-、C60H32-36++、 C60H12-18+/-、Coronene+/-、Coronene++、Ovalene+/-、Ovalene++、Dicoronene+/-、金刚烷+、金刚烷+、三金刚烷+/三金刚烷+ 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，我们将获得气相中相应跃迁能量的粗略估计。这些将与天文数据和量子化学预测（将在该项目中执行的 DFT 和 TD-DFT 计算 [Turbomole] 进行比较）。