论文标题

在高压下稳定聚硝酸钾中己嗪环的稳定

Stabilization of hexazine rings in potassium polynitride at high pressure

论文作者

Wang, Yu, Bykov, Maxim, Bykova, Elena, Zhang1, Xiao, Jiang, Shu-qing, Greenberg, Eran, Chariton, Stella, Prakapenka4, Vitali B., Goncharov, Alexander F.

论文摘要

多元氮分子代表了最终的高能密度材料,因为它们具有源自高焓的巨大潜在化学能。但是,由于困难找到节能合成途径和稳定机制,因此这种化合物的合成和储存仍然是一个巨大的挑战。具有氮的金属化合物代表了实现能量多元素化合物的有希望的候选物,这些化合物也是环境良性的。在这里,我们报告了稳定在K2N6化合物中的多元素基平面N6六嗪环的合成,该环在高压高45 GPA的高压钻石芯片细胞中从K叠氮化物中形成,并保持稳定于20 GPA。同步加速器X射线衍射和拉曼光谱法用于识别该材料,也表现出金属光泽,都与理论上预测的结构,振动和电子特性一致。这里记录的N6六嗪环代表了新的高能性多硝基元,它具有未来恢复和利用的潜力。

Polynitrogen molecules represent the ultimate high energy-density materials as they have a huge potential chemical energy originating from their high enthalpy. However, synthesis and storage of such compounds remain a big challenge because of difficulties to find energy efficient synthetic routes and stabilization mechanisms. Compounds of metals with nitrogen represent promising candidates for realization of energetic polynitrogen compounds, which are also environmentally benign. Here we report the synthesis of polynitrogen planar N6 hexazine rings, stabilized in K2N6 compound, which was formed from K azide upon laser heating in a diamond anvil cell at high pressures in excess of 45 GPa and remains metastable down to 20 GPa. Synchrotron X-ray diffraction and Raman spectroscopy are used to identify this material, also exhibiting metallic luster, being all consistent with theoretically predicted structural, vibrational and electronic properties. The documented here N6 hexazine rings represent new highly energetic polynitrogens, which have a potential for future recovery and utilization.

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