Fourfold versus Sixfold Coordination of the Silicon Atoms in Phosphosilicates: Syntheses, Structures and Consequences for Materials Properties

磷硅酸盐中硅原子的四重与六重配位：合成、结构和材料性能的影响

• 批准号: 320823820
• 负责人: Dr. Erica Brendler
• 金额: --
• 依托单位: Institut für Anorganische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2016
• 资助国家: 德国
• 起止时间: 2015-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/320823820?language=en
• 关键词: Fourfold; versus; Sixfold; Coordination; Silicon

The proposed project focuses on the syntheses, structural characterisation and selected properties of phosphosilicates. These contain SiO4- and PO4-tetrahedra as well as octahedrally coordinated silicon atoms. So far these materials were formed under high temperatures or high pressure. Recently, we found a novel synthesis route to generate phosphosilicates with SiO6-octahedra. The characteristics are: -anhydrous syntheses in organic solvents -at room temperature and ambient pressure. On the one hand the research will deal with the dependency of the SiO6-formation on different reagents and reaction conditions. On the other hand phosphosilicates with specific structural features and compositions will be generated via novel precursors. The products are expected to be oligomeric or polymeric. They will be characterized with respect to elemental composition, structure and arrangement of the building blocks, which will require extensive use of NMR spectroscopy. In order to gain structural models which are as realistic as possible a theoretical group (P. Kroll, Arlington, Texas) will be involved who perform quantum mechanical calculations, the results of which will be compared and verified by spectroscopic and thermo¬chemical measurements. At the same time material properties will be tested. These include thermal and chemical stability as well as optical characteristics. The knowledge of syntheses, structures and properties will help to develop future potential applications of the phosphosilicate materials.

拟议的项目集中在磷硅酸盐的合成，结构表征和选定的性能。它们含有SiO 4-和PO 4-四面体以及八面体配位的硅原子。到目前为止，这些材料是在高温或高压下形成的。最近，我们发现了一种新的合成路线，以生成具有SiO 6-八面体的磷硅酸盐。特点是：-在有机溶剂中无水合成-在室温和环境压力下。一方面，研究SiO 6-的形成对不同试剂和反应条件的依赖性。另一方面，具有特定结构特征和组成的磷硅酸盐将通过新的前体产生。预期产物为低聚物或聚合物。它们将被表征为相对于元素组成，结构和排列的积木，这将需要广泛使用NMR光谱。为了获得尽可能真实的结构模型，将涉及进行量子力学计算的理论小组（P. Kroll，阿灵顿，德克萨斯州），其结果将通过光谱和热化学测量进行比较和验证。与此同时，将测试材料性能。这些包括热稳定性和化学稳定性以及光学特性。对磷硅酸盐材料的合成、结构和性质的了解将有助于开发磷硅酸盐材料的潜在应用。