School of Materials Science & Engineering, Beijing Institute of Technology, Beijing 100871, China.
Experimental Center of Advanced Materials, School of Materials Science & Engineering, Beijing Institute of Technology, Beijing 100081, China.
Int J Mol Sci. 2022 Sep 2;23(17):10002. doi: 10.3390/ijms231710002.
The trinitromethyl moiety is a useful group for the design and development of novel energetic compounds with high nitrogen and oxygen content. In this work, by using an improved nitration method, the dinitromethyl precursor was successfully nitrated to the trinitromethyl product (), and its structure was thoroughly characterized by FTIR, NMR, elemental analysis, differential scanning calorimetry, and single-crystal X-ray diffraction. Compound has a high density (1.897 g cm), high heat of formation (984.8 kJ mmol), and a high detonation performance (: 9351 m s, : 37.46 GPa) that may find useful applications in the field of high energy density materials.
三硝基甲基部分是设计和开发具有高氮和氧含量的新型高能化合物的有用基团。在这项工作中，通过使用改进的硝化方法，成功地将二硝基甲基前体硝化得到三硝基甲基产物（），并通过傅里叶变换红外光谱（FTIR）、核磁共振（NMR）、元素分析、差示扫描量热法（DSC）和单晶 X 射线衍射对其结构进行了彻底的表征。化合物具有高密度（1.897 g·cm）、高生成焓（984.8 kJ·mmol）和高爆轰性能（：9351 m·s，：37.46 GPa），可能在高能密度材料领域有应用前景。
