Abstract 5,5′-bis(2,4,6-trinitrophenyl)-2,2′-bi(1,3,4-oxadiazole) (TKX-55) was synthesized through an oxidation-chloridization-condensation-cyclization sequence. Thermal decomposition behavior and non-isothermal decomposition reaction kinetics of TKX-55 were investigated by the differential scanning calorimetry and thermogravimetric analysis (DSC-TG) methods The research of decomposition mechanism of the molecule was further carried out through in-situ FTIR spectroscopy technologies. The experiment results showed that the enlarged conjugated system has a marked effect on the thermal stability and the picryl moiety is much more stable than the 1,3,4-oxadiazole moiety during the heat-up process, indicating that the decomposition process is mostly likely to initiate from the ring-opening reaction of 1,3,4-oxadiazole moiety which is supported by the computational scanning result of potential energy surface.

中文翻译：

---

新型耐热炸药5,5'-双(2,4,6-三硝基苯基)-2,2'-双(1,3,4-恶二唑)热行为研究

摘要 通过氧化-氯化-缩合-环化顺序合成了5,5'-双(2,4,6-三硝基苯基)-2,2'-双(1,3,4-恶二唑)(TKX-55)。采用差示扫描量热法和热重分析法(DSC-TG)研究了TKX-55的热分解行为和非等温分解反应动力学，并通过原位FTIR光谱技术进一步研究了该分子的分解机理。实验结果表明，扩大的共轭体系对热稳定性有显着影响，并且在加热过程中苦基部分比1,3,4-恶二唑部分稳定得多，表明分解过程最有可能从 1,3 的开环反应开始，