Syntheses and Characterization of two cyclo‐pentazolate salts,Zeitschrift für anorganische und allgemeine Chemie

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Syntheses and Characterization of two cyclo‐pentazolate salts
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2021-01-04 , DOI: 10.1002/zaac.202000309
xieyang wang ₁

Affiliation

Two energetic salts of cyclo‐N₅⁻, O‐methylisoure pentazolate (1) and guanidinoacetic acid pentazolate (2), were synthesized by metathesis reaction. All the energetic cyclo‐N₅⁻ salts were characterized by single‐crystal XRD, IR spectroscopy, ¹H and ¹³C multinuclear NMR spectroscopy, thermal analysis (DSC) and elemental analysis. They exhibit good thermal stability with decomposition temperatures of more than 100 °C and they are in excellent agreement with those reported non‐metallic salts. Salt 1 also exhibits strong π‐π interactions. The standard enthalpies of formation and detonation performances of these salts were calculated using Gaussian 09 and EXPLO5 v6.01 programs. The detonation velocities of compound 1 and 2 are both about 7400 m s⁻¹ and these two salts exhibit low mechanical sensitivity (IS>23 J, FS>220 N). Therefore, in this work, the synthesis of the new pentazolate salts enriches the cyclo‐pentazolate salts system, which is conducive to the exploration of more heat‐resistant and higher detonation velocities pentazolate salts.

中文翻译：

两种环戊唑盐的合成与表征

的环-N二高能盐₅^-，O- methylisoure pentazolate（1）和胍基乙酸pentazolate（2）中，通过复分解反应合成。所有的高能环-N ₅^-通过单晶X射线衍射，IR光谱法，盐进行表征¹ H和¹³ C ^多核NMR光谱学，热分析（DSC）和元素分析。它们表现出良好的热稳定性，分解温度超过100°C，并且与报道的非金属盐极为吻合。盐1还表现出很强的π-π相互作用。使用Gaussian 09和EXPLO5 v6.01程序计算这些盐的形成和爆炸性能的标准焓。化合物1和2的爆炸速度均为约7400m s ^-1，并且这两种盐表现出较低的机械敏感性（IS> 23 J，FS> 220 N）。因此，在这项工作中，新的戊唑盐的合成丰富了环戊唑盐体系，这有利于探索具有更高耐热性和更高爆震速度的戊唑盐。

更新日期：2021-01-04

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