Sun Lianghe, Zhu Hongwei, Jiang Shuaijie, Yuan Xiaofeng, Lu Guoping, Lu Ming, Xu Yuangang
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
Molecules. 2025 Jun 16;30(12):2613. doi: 10.3390/molecules30122613.
Compounds containing the pentazolate anion (-N) represent a distinctive group of energetic materials that have received extensive attention in recent years. -N was used as a polynitrogen anion for the syntheses of energetic salts through metathesis reactions. Propamidinium (), 5-amino-4-carbamoyl-1-imidazol-3-ium (), (1-1,2,3-triazol-4-yl)methanaminium (), 5-amino-4-1,2,4-triazol-1-ium (), 5-amino-3-methyl-4-1,2,4-triazol-1-ium (), and amino(pyrimidin-2-yl)methaniminium () pentazolates were obtained with high yields (>80%), and their crystal structures were confirmed through single-crystal X-ray diffraction analyses. Hirshfeld surface analyses and 2D fingerprint plots generated by CrystalExplorer17 demonstrated that these compounds exhibited extensive hydrogen-bonding networks in their crystal packing. Mechanical sensitivity tests showed that all the prepared salts were highly insensitive (IS > 35 J, FS > 360 N), providing valuable insights for the further exploration of broader energetic materials containing -N.
含有五唑阴离子（-N）的化合物是一类独特的含能材料，近年来受到了广泛关注。-N被用作多氮阴离子，通过复分解反应合成含能盐。以高产率（>80%）获得了丙脒鎓（）、5-氨基-4-氨基甲酰基-1-咪唑-3-鎓（）、（1-1,2,3-三唑-4-基）甲铵鎓（）、5-氨基-4-1,2,4-三唑-1-鎓（）、5-氨基-3-甲基-4-1,2,4-三唑-1-鎓（）和氨基（嘧啶-2-基）甲亚胺鎓（）五唑盐，并通过单晶X射线衍射分析确定了它们的晶体结构。由CrystalExplorer17生成的 Hirshfeld 表面分析和二维指纹图谱表明，这些化合物在其晶体堆积中表现出广泛的氢键网络。机械敏感性测试表明，所有制备的盐都具有高度不敏感性（撞击感度>35 J，摩擦感度>360 N），为进一步探索更广泛的含-N含能材料提供了有价值的见解。
