十二氢十二硼酸双(二烷基-5-氨基四唑)盐的晶体结构及性能分析

Eleven kinds of bis(dialkyl-5-aminotetrazolium) dodecadodecaborates were prepared, their crystal structures were characterized by X-ray single crystal diffractometer. The detonation properties of the compounds were calculated using EXPLO5 software. The results showed that the densities of eleven compounds were between 1.097-1.229 g/cm³. The spatial crystal forms were mainly affected by the position of the substituents. The crystal structures belonged two types, which were triclinic and monoclinic. The unit cell size was related to the number of molecules in cell, the number of carbon atoms in the cation-substituted alkyl group had no significant effect on the length of the C-N connected to the tetrazole. For compounds with the same substitution position, the heat of formation and explosion heat decrease with the increase of the number of carbon atoms in the alkye substituent.