Zhao Gang, Kumar Dheeraj, He Chunlin, Hooper Joseph P, Imler Gregory H, Parrish Damon A, Shreeve Jean'ne M
Department of Chemistry, University of Idaho, Moscow, Idaho, 83844-2343, USA.
Department of Physics, Naval Postgraduate School, Monterey, CA, 93943, USA.
Chemistry. 2017 Nov 27;23(66):16753-16757. doi: 10.1002/chem.201704798. Epub 2017 Nov 6.
Sodium salts of iodine-rich pyrazole and imidazole with 1-(2-bromoethyl)-5-aminotetrazole are useful precursors for energetic N,N'-ethylene-bridged polyiodoazoles. Compounds 1-3 were characterized with IR, and H and C NMR spectroscopy as well as elemental analyses. The molecular structures of 1 and 2 were confirmed by using single crystal X-ray diffraction. Heats of formation were calculated using Gaussian 03 and detonation properties and biocidal efficiency were calculated with CHEETAH 7. The decomposition products of 1-3 destroy microbes more effectively than some previously reported biocides since the thermal decomposition occurs at below 400 °C without addition of oxidizer or combustion adjuvant.
富含碘的吡唑和咪唑的钠盐与1-(2-溴乙基)-5-氨基四唑是高能N,N'-亚乙基桥连多碘唑的有用前体。化合物1-3通过红外光谱、氢和碳核磁共振光谱以及元素分析进行了表征。1和2的分子结构通过单晶X射线衍射得到证实。使用高斯03计算生成热，使用CHEETAH 7计算爆轰性能和杀菌效率。1-3的分解产物比一些先前报道的杀菌剂更有效地破坏微生物，因为热分解在不添加氧化剂或燃烧助剂的情况下在400°C以下发生。
