Journal of Molecular Structure ( IF 4.0 ) Pub Date : 2021-05-23 , DOI: 10.1016/j.molstruc.2021.130732 Saira Manzoor , Piao He , Jun-Qing Yang , Qamar-un-nisa Tariq , Li Jing-Ru , Yong Hu , Wenli Cao , Jian-Guo Zhang
The N-oxidation of 5-Nitroso-2,4,6-triaminopyrimidine leads to the successful synthesis of 5-Nitro-2,4,6 triaminopyrimidine-1,3-Dioxide (NTAPDO) 1 and 5-Nitro-2,4,6-triaminopyrimidine-1-oxide (NTAPMO) 2 by using mild oxidation reactions and the NTAPMO (2) based energetic salts (3–5) were prepared effectively by reacting 2 with the related acids following neutralization reaction. The single-crystal X-ray diffraction, differential scanning calorimetry (DSC), and thermal gravimetric analysis (TGA) techniques were applied to manifest the structures and thermal stability of compounds respectively. The compounds 1–5 exhibited high densities in the range of 1.76 -1.87 g.cm−3 and mechanically insensitive towards impact and friction. The heat of formation (HOF) of these compounds was found high positive between the ranges of 207.7 to 768.4 kJ.mol−1. The energetic salts 3, 4, and 5 demonstrated high detonation performance (velocity and pressure) and high volumes of explosion gasses (789.77, 733.85, and 730.61 L•kg−1, respectively). Hence, compounds 1–5 displayed good thermal stability, high positive HOFs, and good detonation performance as well as low sensitivity suggesting their potential to be used as energetic materials in the field of high-performance explosives.
中文翻译:
基于 5-亚硝基-2,4,6-三氨基嘧啶 N-氧化的含能化合物的合成与表征
5-Nitroso-2,4,6-triaminopyrimidine 的 N-氧化导致 5-Nitro-2,4,6 triaminopyrimidine-1,3-Dioxide (NTAPDO) 1和 5-Nitro-2,4的成功合成,6-triaminopyrimidine-1-oxide (NTAPMO) 2通过使用温和的氧化反应和基于 NTAPMO ( 2 ) 的高能盐 ( 3–5 ) 通过中和反应后2与相关酸反应有效地制备。应用单晶X射线衍射、差示扫描量热法(DSC)和热重分析(TGA)技术分别显示化合物的结构和热稳定性。化合物1-5表现出高密度,范围为 1.76 -1.87 g 。cm -3并且对冲击和摩擦机械不敏感。发现这些化合物的形成热 (HOF) 在 207.7 至 768.4 kJ 的范围内具有高正值。摩尔-1。高能盐3、4和5表现出高爆震性能(速度和压力)和大量爆炸气体(分别为 789.77、733.85 和 730.61 L•kg -1)。因此,化合物1-5表现出良好的热稳定性、高正 HOF 和良好的爆轰性能以及低灵敏度,表明它们有可能用作高性能炸药领域的含能材料。