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

氮化物是一类重要的无机材料，具有优异的化学和物理性能。近年来，高压高温（HPHT）合成技术的应用打破了以前建立的范式，极大地丰富了氮化学。该项目的目标是HPHT合成二元N-Hal和三元H-N-Hal （Hal = F, Cl, Br， I）化合物的晶体化学和物理性质的系统研究。该合成将在激光加热的各种前体金刚石砧细胞（dac）中实现，反应产物将使用单晶x射线衍射和拉曼光谱进行研究，并结合理论计算，以更深入地了解化学键的性质以及机械和电子性能。我们打算揭示新化合物的合成条件、化学键、结构和性质之间的关系，这将使我们能够推广我们自己的观察和以前可用的高压氮化学数据，并制定控制极端条件下含氮和含卤素化合物形成和行为的晶体化学原理。

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.