High-pressure synthesis of novel nitrogen (N) – halogen (Hal) compounds: binary N-Hal and ternary H-N-Hal (Hal = F, Cl, Br, I)

高压合成新型氮(N)â卤素(Hal)化合物：二元N-Hal和三元H-N-Hal(Hal = F, Cl, Br, I)

• 批准号: 526080028
• 负责人: Professorin Dr. Natalia Dubrovinskaia
• 金额: --
• 依托单位: Laboratorium für Kristallographie
• 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/526080028?language=en
• 关键词: pressure; synthesis; novel; nitrogen; halogen

Nitrides are an important class of inorganic materials, which exhibit outstanding chemical and physical properties. Recently, application of high-pressure high-temperature (HPHT) synthesis techniques has broken previously established paradigms and considerably enriched nitrogen chemistry. The goal of the project is the HPHT synthesis and systematic study of crystal chemistry and physical properties of binary N-Hal and ternary H-N-Hal (Hal = F, Cl, Br, I) compounds. The synthesis will be realized in laser-heated diamond anvil cells (DACs) from various precursors, and the reaction products will be studied using single-crystal X-ray diffraction and Raman spectroscopy, combined with theoretical calculations for a deeper insight into the nature of the chemical bonding and mechanical and electronic properties. We intend to reveal the relationships between synthetic conditions, chemical bonding, structure, and properties of the novel compounds, which will enable to generalize our own observations and previously available data on high-pressure nitrogen chemistry and formulate crystal-chemical principals governing the formation and behavior of nitrogen and halogen containing compounds at extreme conditions.

氮化物是一类重要的无机材料，具有优异的物理化学性能。最近，高压高温（HPHT）合成技术的应用打破了以前建立的范式，大大丰富了氮化学。本项目的目标是HPHT合成二元N-Hal和三元H-N-Hal（Hal = F，Cl，Br，I）化合物并系统研究其晶体化学和物理性质。该合成将在激光加热的金刚石对顶砧单元（DAC）中从各种前体实现，并将使用单晶X射线衍射和拉曼光谱研究反应产物，结合理论计算，以更深入地了解化学键合的性质以及机械和电子特性。我们打算揭示合成条件，化学键，结构和新化合物的性质之间的关系，这将使我们自己的观察和以前可用的高压氮化学数据，并制定晶体化学原理，在极端条件下含氮和卤素的化合物的形成和行为。