Zhang Jinya, Cai Jinxiong, Chen Nihan, Fei Teng, He Chunlin, Pang Siping
Experimental Center of Advanced Materials, School of Materials Science & Engineering, Beijing Institute of Technology, Beijing 100081, China.
Yangtze Delta Region Academy of Beijing Institute of Technology, Jiaxing 314019, China.
J Phys Chem Lett. 2022 Aug 25;13(33):7824-7830. doi: 10.1021/acs.jpclett.2c02133. Epub 2022 Aug 17.
Halogen-free substitutions of ammonium perchlorate (), which meet the requirements of high density, high performance, and acceptable stability, have been a subject of scientific research for many years. In this work, by regrouping atoms in trinitromethyl substituted bis(1,2,4-oxadiazole), a novel oxidizer, trinitromethyl substituted β-bis(1,2,4-oxadiazole) (), was designed and synthesized. It possesses an improved density (ρ = 2.002 g cm at 170 K, ρ = 1.942 g cm at 298 K) and thermal stability ( = 142.8 °C) in comparison to its regioisomer 5,5'-bis(trinitromethyl)-3,3'-bi(1,2,4-oxadiazole) (). The properties for were studied by both experimental and theoretical methods. The high positive oxygen balance of +7.3% and high specific impulse of 250 s also make compound a promising candidate for an energetic oxidizer.
多年来，满足高密度、高性能和可接受稳定性要求的高氯酸铵无卤取代物一直是科学研究的课题。在这项工作中，通过对三硝基甲基取代的双（1,2,4-恶二唑）中的原子进行重新排列，设计并合成了一种新型氧化剂三硝基甲基取代的β-双（1,2,4-恶二唑）。与区域异构体5,5'-双（三硝基甲基）-3,3'-联（1,2,4-恶二唑）相比，它具有更高的密度（170K时ρ = 2.002 g/cm³，298K时ρ = 1.942 g/cm³）和热稳定性（Td = 142.8 °C）。通过实验和理论方法对其性能进行了研究。+7.3%的高正氧平衡和250 s的高比冲也使该化合物成为一种有前景的高能氧化剂候选物。
