Optical spectra of silicon-bearing clusters and nanostructures of astrophysical interest

天体物理学感兴趣的含硅团簇和纳米结构的光谱

• 批准号: 431702392
• 负责人: Professor Dr. Otto Dopfer
• 金额: --
• 依托单位: Arbeitsgruppe Lasermolekülspektroskopie und Umweltphysik (AG Dopfer)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/431702392?language=en
• 关键词: Optical; spectra; silicon; bearing; clusters

We propose to determine the structural and electronic properties of small silicon-bearing clusters and nanostructures, especially those of astrophysical relevance, by means of vibrational and optical laser spectroscopy and quantum chemical calculations. The chemical evolution from small silicon oxides, silicates, and related molecules to large micrometer-sized silicate dust particles in the interstellar medium is poorly understood. Intermediates between these size regimes must exist but are elusive to observations. Laboratory optical spectra of these species are virtually unavailable in the literature. The purpose of this project is to fill this gap by determining the optical and photochemical properties, stabilities, photofragmentation patterns, and chemical reactivity of these species. The results may not only enable the astronomical detection of those particles but also provide valuable input to theoretical models of circumstellar dust shells. While we concentrate herein on the astrophysical context of silicon oxides, silicates, and related molecules, the species under investigation are also of interest in other fields, such as semiconductor and materials sciences and nanophotonics. The optical properties of these species are also of general interest with respect to developing, improving, and testing quantum chemical approaches that enable the reliable prediction of the involved excited states, which has remained a challenging field in quantum chemistry.

我们建议通过振动和光学激光光谱以及量子化学计算来确定小型含硅团簇和纳米结构的结构和电子特性，特别是那些与天体物理相关的结构和电子特性。星际介质中从小的氧化硅、硅酸盐和相关分子到微米级的大硅酸盐尘埃颗粒的化学演化过程我们知之甚少。这些大小范围之间的中间体必定存在，但观察起来难以捉摸。这些物种的实验室光谱实际上在文献中无法获得。该项目的目的是通过确定这些物种的光学和光化学特性、稳定性、光断裂模式和化学反应性来填补这一空白。这些结果不仅可以实现对这些粒子的天文探测，还可以为星周尘埃壳的理论模型提供有价值的输入。虽然我们在此关注硅氧化物、硅酸盐和相关分子的天体物理背景，但所研究的物种也引起其他领域的兴趣，例如半导体和材料科学以及纳米光子学。这些物质的光学性质在开发、改进和测试量子化学方法方面也引起了普遍的兴趣，这些方法能够可靠地预测所涉及的激发态，这仍然是量子化学中的一个具有挑战性的领域。