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.

中文翻译：

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通过与三硝基苯甲醚 (TNAN) 的比较研究探索 3,5-二氟-2,4,6-三硝基苯甲醚 (DFTNAN) 的反应机理

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 耦合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到对硝基上。DFTNAN在初始断键后可能的反应途径是解离的硝基断裂并释放大量热量，从而引起苯的开环。主要副反应包括多环化合物的产生和氟原子迁移。氟影响热稳定性并改变反应途径，由于CF键的高稳定性，氟化产物以碳氟化合物的形式出现。