Axthammer Quirin J, Krumm Burkhard, Klapötke Thomas M
Department of Chemistry, Energetic Materials Research, Ludwig-Maximilian University of Munich , Butenandtstraße 5-13 (D), 81377 Munich, Germany.
J Phys Chem A. 2017 May 11;121(18):3567-3579. doi: 10.1021/acs.jpca.7b01742. Epub 2017 May 1.
1,1-Diamino-2,2-dinitroethene (FOX-7) is a relatively new highly energetic material, with good explosive performance and low sensitivity against mechanical stimuli and thermal stress. Therefore, on the one hand, FOX-7 is very stable and a starting material with fairly low reactivity. On the other hand, chlorosulfonyl isocyanate ClSONCO is a very reactive reagent and represents a highly activated form of isocyanic acid HNCO. New derivatives of FOX-7 and its hydrazine analogue 1-amino-1-hydrazino-2,2-dinitroethene, as well as unusual potassium salts, are described. Besides the usual spectroscopic characterization, the structures of all compounds were investigated and discussed by single-crystal X-ray diffraction. The compounds demonstrate good thermal stabilities, very high densities, and excellent sensitivity values. The heats of formation were calculated, and together with the room-temperature densities, the energetic parameters were estimated. The compounds are potential candidates as insensitive high-energy-density materials and starting materials for further chemistry.
1,1-二氨基-2,2-二硝基乙烯（FOX-7）是一种相对新型的高能材料，具有良好的爆炸性能，对机械刺激和热应力的敏感度较低。因此，一方面，FOX-7非常稳定，是一种反应活性相当低的起始原料。另一方面，氯磺酰异氰酸酯ClSONCO是一种反应活性很强的试剂，代表了异氰酸HNCO的一种高度活化形式。本文描述了FOX-7及其肼类似物1-氨基-1-肼基-2,2-二硝基乙烯的新衍生物以及不寻常的钾盐。除了常规的光谱表征外，还通过单晶X射线衍射对所有化合物的结构进行了研究和讨论。这些化合物表现出良好的热稳定性、非常高的密度和优异的敏感度值。计算了生成热，并结合室温密度估算了能量参数。这些化合物是潜在的不敏感高能密度材料候选物以及进一步化学研究的起始原料。
