Studies on Energetic Salts Based on (2,4,6‐Trinitrophenyl)guanidine
Studies on Energetic Salts Based on (2,4,6‐Trinitrophenyl)guanidine
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DOI：
10.1002/prep.201500338
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发表时间：
2016-04
期刊：
影响因子：
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通讯作者：
T. Klapötke;Frank Mieskes;Jörg Stierstorfer;Michael Weyrauther
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文献类型：
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作者：
T. Klapötke;Frank Mieskes;Jörg Stierstorfer;Michael Weyrauther
合成了（2,4,6-三硝基苯）胍，并对其热性能和能量性能进行了研究。（2,4,6-三硝基苯）胍与硝酸、苦性酸、高氯酸、盐酸等不同的酸反应，使（2,4,6-三硝基苯）胍质子化，生成相应的盐（正负离子比1:1）。反应在水或乙醚的环境温度下进行，并产生具有能量特性的定性纯产品，这是典型的二次炸药。用多核核磁共振光谱、红外光谱和拉曼光谱以及质谱对化合物进行了表征。进行了单晶x射线衍射研究，测定了四种不同盐在低温下的结构。热稳定性采用差示扫描量热法（DSC）测定。使用BAM落锤和摩擦试验确定了灵敏度。采用基于CBS-4M焓的原子化方法计算生成热。利用这些值以及x射线或比重密度，使用EXPLO5代码计算了几个爆炸参数，如爆炸压力、速度、能量和温度。
(2,4,6-Trinitrophenyl)guanidine was synthesized and its thermal and energetic properties were investigated. The reaction of (2,4,6-trinitrophenyl)guanidine with different acids, such as nitric, picric, perchloric, and hydrochloric acid results in protonation of (2,4,6-trinitrophenyl)guanidine and the formation of the corresponding salts (cation:anion ratio 1:1). The reactions are performed at ambient temperature in H2O or EtOH and produce qualitatively pure products with energetic properties, which are typical of those of secondary explosives. The compounds were characterized using multinuclear NMR spectroscopy, IR and Raman spectroscopy, as well as mass spectrometry. Single crystal X-ray diffraction studies were performed and the structures of the four different salts at low temperatures were determined. The thermal stabilities were measured using differential scanning calorimetry (DSC). The sensitivities were determined using the BAM drophammer and friction tests. The heats of formation were calculated by the atomization method based on CBS-4M enthalpies. Using these values as well as the X-ray or pycnometric densities, several detonation parameters such as the detonation pressure, velocity, energy, and temperature were computed using the EXPLO5 code.