Chi Yu, Liao Longyu, Yu Qian, Zhao Chuande, Fan Guijuan
Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), PO Box 919-327, Mianyang, Sichuan 621900, People's Republic of China.
Phys Chem Chem Phys. 2020 Feb 12;22(6):3563-3569. doi: 10.1039/c9cp04895b.
[2,2'-Bi(1,3,4-oxadiazole)]-5,5'-dinitramide (ICM-101), a high-energy-density material, was reported in recent years. ICM-101 is the first energetic material with the 2,2'-bi(1,3,4-oxadiazole) structure as the main ring structure. The molecular structure of ICM-101 shows excellent planar characteristics, providing a new option for the design of high-energy-density materials. However, during crystal preparation, ICM-101 easily interacts with solvents and forms the corresponding solvates. Interestingly, during thermal decomposition, when the solvent escapes from ICM-101 solvates, it induces the decomposition of ICM-101. In this study, the decomposition of ICM-101 induced by solvent evolution was evaluated in detail, and the decomposition kinetic equation was established. The mechanism of solvent-evolution-induced decomposition in ICM-101 solvates was further studied, and it was found that solvent evolution might produce defects in the crystals of ICM-101 solvates, and induce the decomposition of ICM-101 on the defects.
[2,2'-联（1,3,4-恶二唑）]-5,5'-二硝酰胺（ICM-101）是一种高能量密度材料，近年来有相关报道。ICM-101是第一种以2,2'-联（1,3,4-恶二唑）结构为主环结构的含能材料。ICM-101的分子结构具有优异的平面特性，为高能量密度材料的设计提供了新的选择。然而，在晶体制备过程中，ICM-101很容易与溶剂相互作用并形成相应的溶剂化物。有趣的是，在热分解过程中，当溶剂从ICM-101溶剂化物中逸出时，会引发ICM-101的分解。在本研究中，详细评估了溶剂逸出引发的ICM-101分解，并建立了分解动力学方程。进一步研究了ICM-101溶剂化物中溶剂逸出引发分解的机理，发现溶剂逸出可能会在ICM-101溶剂化物的晶体中产生缺陷，并在这些缺陷处引发ICM-101的分解。
