Synthesis and Characterization of Amorphous Inorganic Cluster Compounds

继续和扩展项目A1在FOR 2824的第一个资助期内所做的工作，我们研究了[（RT）4 E6]类型的金刚烷类团簇（R =有机取代基; T = Si，Ge，Sn; E = S，Se，Te），在某些情况下，它们以光谱宽（白光）发射的形式表现出极端的非线性光学性质。与FOR 2824中其他项目的PI合作，对这些化合物的非线性光学性质以及微观和宏观结构进行了实验和理论研究;在这里，这些物质也作为新的实验和理论方法的基准化合物，以研究一般的非晶材料。FOR 2824的主要长期目标之一是了解新形式的白色光产生背后的物理机制以及在工程设备中使用这些材料。根据第一个资助期获得的结果，我们在项目A1中瞄准了那些特别适合于形成均匀、耐用样品的物质，这些物质由于其R/T/E（或R/R '，T/T'，E/E '）的组合而具有所需的白光发射特性。我们将开发新化合物的合成路线，其中R，T和E可以是统一的或不同的。我们还建议-也与项目A2合作-有前途的扩展的化合物库扩展集群核心，多功能取代基，和聚合物材料。在晶体材料的情况下，我们将确定它们的结构。然而，在白光发电方面，非晶材料是该项目的重点。因此，控制无定形是项目A1在第二个供资期的另一个重要目标。我们希望通过玻璃的形成，通过暴露于外部压力，以及通过结合到支架中来影响这一点。最有希望的化合物，由我们自己使用简单的激光装置和简单的DFT计算进行预筛选确定，将被传递给FOR 2824的理论家和物理学家，然后他们将与我们密切合作，对它们进行更详细的研究，并最终使用这些化合物制造测试设备。

Continuing and extending the work done in project A1 in the first funding period of FOR 2824, we investigate adamantane-like clusters of the [(RT)4E6] type (R = organic substituent; T = Si, Ge, Sn; E = S, Se, Te), which under certain circumstances exhibit extreme nonlinear optical properties in the form of a spectrally broad (white-light) emission. In cooperation with the PIs of the other projects within FOR 2824, these compounds are investigated experimentally and theoretically with respect to their nonlinear optical properties and with respect to their microscopic and macroscopic structures; here, the substances also serve as benchmark compounds for new experimental and theoretical methods to study amorphous materials in general. Among the major long-term goals of FOR 2824 are understanding the physical mechanism behind the new form of white light generation and the use of the materials in engineered devices. Based on the results obtained in the first funding period, we are therefore targeting in project A1 those substances that are particularly suitable for the formation of homogeneous, robust samples with the desired white-light emission properties as a result of their combination of R/T/E (or R/R', T/T', E/E'). We will develop synthetic routes to new compounds where R, T, and E can be uniform or diverse. We also propose – also in cooperation with project A2 – promising extensions of the compound library toward extended cluster cores, multifunctional substituents, and polymeric materials. In the case of crystalline materials, we will determine their structures. However, in terms of white-light generation, amorphous materials are the focus of the project. Therefore, the control of amorphousness is another important goal of the project A1 in the second funding period. We want to influence this specifically through glass formation, by exposure to external pressure, and by incorporation into scaffolds. The most promising compounds, as determined by our own pre-screening using a simple laser setup and simple DFT calculations, will be passed on to the theorists and physicists in FOR 2824, who will then perform more detailed studies on them in close cooperation with us and ultimately use the compounds for the fabrication of test devices.