Huang Shi, Tian Junjun, Qi Xiujuan, Wang Kangcai, Zhang Qinghua
Research Center of Energetic Materials Genome Science, Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), Mianyang, 621900, P. R. China.
School of Material Science and Engineering, Southwest University of Science and Technology, Mianyang, 621900, P. R. China.
Chemistry. 2017 Sep 18;23(52):12787-12794. doi: 10.1002/chem.201702451. Epub 2017 Jul 31.
gem-Dinitromethylated and fluorodinitromethylated 5,5'-dinitro-3,3'-bis-1,2,4-triazole (DNBT) (2 and 3) along with seven ionic derivatives 4-9, were synthesized and characterized by NMR and IR spectroscopies, elemental analysis, single-crystal X-ray diffraction (XRD), and differential scanning calorimetry (DSC). XRD revealed that compounds 2 and 3 crystallized in the monoclinic P2 /n space group and compound 5 crystallized in the monoclinic P2 /c space group. The physicochemical properties of the as-synthesized compounds 2-9 were investigated and the results indicated that compounds 3, 6, and 7 exhibited a good balance between high energy and low sensitivity, demonstrating their potential as new high-energy-density materials (HEDMs). The proposed synthetic strategy for introducing gem-dinitromethyl and fluorodinitromethyl groups into the DNBT framework to prepare materials with high energy and low sensitivity suitable for HEDMs looks promising.
偕二硝基甲基化和氟代二硝基甲基化的5,5'-二硝基-3,3'-双-1,2,4-三唑（DNBT）（2和3）以及七种离子衍生物4 - 9被合成，并通过核磁共振光谱、红外光谱、元素分析、单晶X射线衍射（XRD）和差示扫描量热法（DSC）进行表征。XRD表明化合物2和3以单斜P2 /n空间群结晶，化合物5以单斜P2 /c空间群结晶。对合成的化合物2 - 9的物理化学性质进行了研究，结果表明化合物3、6和7在高能量和低感度之间表现出良好的平衡，证明了它们作为新型高能量密度材料（HEDM）的潜力。所提出的将偕二硝基甲基和氟代二硝基甲基基团引入DNBT骨架以制备适用于HEDM的高能量和低感度材料的合成策略看起来很有前景。
