State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Science, Fuzhou, Fujian 350002, China.
Chemistry. 2010 Jul 26;16(28):8522-9. doi: 10.1002/chem.200903286.
A series of nitroguanidine-fused bicyclic guanidinium energetic salts paired with inorganic energetic anions, mono- and di-tetrazolate anions were synthesized through simple metathesis reactions of 2-iminium-5-nitriminooctahydroimidazo[4,5-d]imidazole chloride and sulfate with the corresponding silver and barium salts, respectively, in aqueous solution. Key physical properties, such as melting point, thermal stability, and density were measured. The relationship between the structures of the salts and these properties was determined. The salts exhibit thermal stability and density (>1.60 g cm(-3)) that are comparable to currently used explosives The structures of the nitrate salt 1 and the dinitrocyanomethanide salt 4 were confirmed by single-crystal X-ray analysis. Densities, heats of formation, detonation pressures and velocities, and specific impulses were calculated. All of the salts possess positive calculated heats of formation and most of them exhibit promising energetic performance that is comparable with those of 1,3,5-trinitrobenzene (TNT), 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), and cyclotrimethylenetrinitramine (RDX). The effect of the fused bicycle 2-iminium-5-nitriminooctahydroimidazo[4,5-d]imidazole on these physicochemical properties was examined and discussed.
通过简单的复分解反应，将 2-亚氨基-5-硝基亚氨基八氢咪唑[4,5-d]咪唑氯和硫酸盐分别与相应的银盐和钡盐在水溶液中反应，合成了一系列与无机含能阴离子（单-和二-四唑阴离子）结合的硝胍基双环胍基高能盐。测量了关键物理性质，如熔点、热稳定性和密度。确定了盐的结构与这些性质之间的关系。这些盐具有热稳定性和密度（>1.60gcm-3），与目前使用的爆炸物相当。硝酸盐盐 1 和二氰甲烷盐 4 的结构通过单晶 X 射线分析得到证实。计算了密度、生成热、爆轰压力和速度以及比冲。所有盐都具有正的计算生成热，其中大多数具有有前途的能量性能，与 1,3,5-三硝基苯（TNT）、1,3,5-三氨基-2,4,6-三硝基苯（TATB）和环三亚甲基三硝胺（RDX）相当。研究并讨论了融合的双环 2-亚氨基-5-硝基亚氨基八氢咪唑[4,5-d]咪唑对这些物理化学性质的影响。
