4-氨基-1,2,4-三唑-NTO盐的晶体结构及性能

Crystal Structure and Properties of 4-Amino-1,2,4-triazole NTO Salt

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P21/c空间群,晶体学参数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。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 P21/c with main crystallography parameters 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=1.694g·cm^-1;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.