Jiao Qingjie, Li Tianqi, Ou Yapeng, Jing Suming, Wang Fang
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China.
School of Environment and Safety Engineering, North University of China, Taiyuan 030051, China.
Materials (Basel). 2022 Mar 31;15(7):2568. doi: 10.3390/ma15072568.
To probe the thermal decomposition mechanisms of a novel fluorinated low-melting-point explosive 3,5-difluoro-2,4,6-trinitroanisole (DFTNAN), a comparative study with trinitroanisole (TNAN) was performed under different heating conditions. The thermal decomposition processes and initial reactions were monitored by DSC-TG-FTIR-MS and T-jump-PyGC-MS coupling analyses, respectively. The results show that fluorine decreased the thermal stability of the molecular structure, and the trigger bond was transferred from the ortho-nitro group of the ether to the para-nitro group. The possible reaction pathway of DFTNAN after the initial bond breakage is the rupture of the dissociative nitro group with massive heat release, which induces the ring opening of benzene. Major side reactions include the generation of polycyclic compounds and fluorine atom migration. Fluorine affects the thermal stability and changes the reaction pathway, and fluorinated products appear in the form of fluorocarbons due to the high stability of the C-F bond.
为探究新型含氟低熔点炸药3,5-二氟-2,4,6-三硝基苯甲醚（DFTNAN）的热分解机理，在不同加热条件下对其与三硝基苯甲醚（TNAN）进行了对比研究。分别通过DSC-TG-FTIR-MS和T-jump-PyGC-MS联用分析监测热分解过程和初始反应。结果表明，氟降低了分子结构的热稳定性，引发键从醚的邻硝基转移至对硝基。DFTNAN初始键断裂后的可能反应途径是解离硝基的断裂并伴随大量热释放，从而引发苯环开环。主要副反应包括多环化合物的生成和氟原子迁移。氟影响热稳定性并改变反应途径，且由于C-F键的高稳定性，氟化产物以碳氟化合物的形式出现。
