High-Pressure Synthesized Lithium Pentazolate Compound Metastable under Ambient Conditions,The Journal of Physical Chemistry Letters

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High-Pressure Synthesized Lithium Pentazolate Compound Metastable under Ambient Conditions
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2018-03-13 00:00:00 , DOI: 10.1021/acs.jpclett.8b00540
D. Laniel ₁ , G. Weck ₁ , G. Gaiffe ₁ , G. Garbarino ₂ , P. Loubeyre ₁

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Polynitrogen compounds have been actively pursued driven by their potential as ultra-high-performing propellants or explosives. Despite remarkable breakthroughs over the past two decades, the two figures of merit for a compelling material, namely a large fraction of nitrogen by weight and a bulk stability under ambient conditions, have not yet been achieved. We report the synthesis of a lithium pentazolate solid by compressing and laser-heating lithium embedded in molecular N₂ around 45 GPa along with its recovery under ambient conditions. The observation by Raman spectroscopy of vibrational modes unique to the cyclo-N₅^– anion is the signature of the formation of LiN₅. Mass spectroscopy experiments confirm the presence of the pentazolate anion in the recovered compound. A monoclinic lattice is obtained from X-ray diffraction measurements and the volume of the LiN₅ compound under pressure is in good agreement with the theoretical calculations.

中文翻译：

高压合成的戊唑醇锂化合物在环境条件下是亚稳态的

多氮化合物作为超高性能推进剂或炸药的潜力一直在积极地追求。尽管在过去的二十年中取得了令人瞩目的突破，但对于引人注目的材料，即氮的重量比例很高，以及在环境条件下的体积稳定性，其两个品质指标尚未实现。我们报告了通过压缩和激光加热嵌入分子N _2中的锂（约45 GPa）及其在环境条件下的回收，合成五唑酸锂固体。通过拉曼观察光谱学独特的环-N振动模式的₅^-阴离子是的LiN地层的签名₅。质谱实验证实回收的化合物中存在五唑根阴离子。通过X射线衍射测量获得单斜晶格，并且在压力下LiN ₅化合物的体积与理论计算良好吻合。

更新日期：2018-03-13

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