4-氨基-1,2,4-三唑-NTO盐的晶体结构及性能

摘要

用X射线单晶衍射法测定了4-氨基-1,2,4-三唑(4-AT)与3-硝基-1,2,4-三唑-5-酮(NTO)制得的盐(AT) (NTO)的单晶结构.结果表明:该晶体为单斜晶系,属21/c空间群,晶体学参数a=7.071(2)(A),b=6.361(3)(A),c=18.792(7) (A)；β=96.43(3)°；V=839.9(5)(A)3；Z=4;Dc=1.694 g·cm-3;μ=0.145/mm; F(000) =440.在(AT) (NTO)晶体中,4-AT阳离子上所有的原子和NTO阴离子上所有的原子均在以各自三唑环为基础的一个平面上,两平面夹角为7.6°.由真空安定性(VST)、撞击感度、摩擦感度和静电火花感度试验所得的真空放气量、特性落高、爆炸概率、50％发火电压、50％发火能分别为0.28 mL· g-1(100℃/48 h),124.7 cm,0％,12.841 kV和2.515 J,表明,(AT) (NTO)对热是稳定的,对撞击、摩擦和静电火花是不敏感的.%The single crystal structure of 4-amino-1,2,4-triazole NTO salt ((AT)(NTO)) prepared by neutral reaction of 4-amino-1,2,4-triazole (4-AT) and NTO was determined by a four-circel X-ray diffractometer. The results show that the crystal is moloclinic,space group P2I/C with main crystallography parameters a =7.071 (2) ?,b=6.361(3) ?,c=18.792(7) ?,β =96.43(3)°,V = 839. 9(5) ?3, Z=4,Dc =1.694 g ? Cm -3 ,μ =0.145/mm,F(000) =440. The atoms of the 4-AT cation and the atom of the NTO anion in (AT) (NTO) crystal are in a plane of self-triazole ring. The two plane angle is 7.6°. The values of standard volume of gas evlved by 100 ℃/48 h, 50% drop height of impact sensitivity,explosion probability of friction sensitivity,50% fire voltage and 50% fire energy by vacuum stability test(VST) and sensivity tests to impact, friction and static electricity spark are 0.28 mL ? G-1,124.7 cm,0%,12. 841 kV and 2.515 J,respectively,indicating that (AT)(NTO) is thermally stable and insensitive to impact,friction and spark.