Formamidinium Nitroformate: An Insensitive RDX Alternative

Five nitroformate
(trinitromethanide) salts featuring nitrogen-containing
cations were prepared. The salts were characterized by multinuclear
NMR, IR, and Raman spectroscopy, single-crystal X-ray analysis, differential
thermal analysis, and friction and impact sensitivity testing. These
experimental data are supplemented with thermochemical calculations
using the Gaussian-4 composite method, and the performance of these
energetic materials was calculated based on the Chapman–Jouguet
thermodynamic detonation theory. Out of the five compounds studied
by us, the formamidinium salt, [CH­(NH2)2]+[C­(NO2)3]−, is most
interesting. Its performance matches that of RDX (research department
explosive, cyclo­trimethylene­trinitramine), while it is
much less sensitive to impact and friction and, therefore, might be
an excellent, less sensitive replacement for RDX.

五种含有含氮阳离子的硝基甲酸盐（三硝基甲烷盐）已被制备。这些盐通过多核核磁共振、红外光谱和拉曼光谱、单晶X射线分析、差示热分析和摩擦与冲击敏感性测试进行了表征。这些实验数据得到了使用Gaussian-4复合方法进行的燃烧热计算的有效补充，并且这些高能材料的性能基于Chapman-Jouguet热力学爆轰理论进行了计算。在我们研究的五种化合物中，甲酰胺盐[CH(NH2)2]+[C(NO2)3]−尤为引人注目。其性能与RDX（研究部门炸药，环三亚甲基三硝基胺）相媲美，同时其对抗冲击和摩擦的敏感性显著降低，因此可能成为RDX的绝佳、低敏感性替代品。