CHINESE JOURNAL OF ENERGETIC MATERIALS
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4-氨基-1,2,4-三唑-NTO盐的晶体结构及性能
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中国工程物理研究院化工材料研究所

作者简介:

徐容(1971- ),女,硕士,从事含能材料合成、性能及晶体制备研究。

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国家自然科学基金联合基金资助项目(11076002)


Crystal Structure and Properties of 4-Amino-1,2,4-triazole NTO Salt
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Institute of chemical material CAEP

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    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P21/c空间群,晶体学参数a=7.071(2) Å,b=6.361(3) Å,c=18.792(7) Å;β=96.43(3)°;V=839.9(5) Å3Z=4;Dc=1.694 g·cm-3μ=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。

    Abstract:

    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) Å, b=6.361(3) Å, c=18.792(7) Å, β=96.43(3)°, V=839.9(5) Å3, 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.

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徐容,董海山,孙杰.4-氨基-1,2,4-三唑-NTO盐的晶体结构及性能[J].含能材料, 2012, 20(1):35-39. DOI:10.3969/j. issn.1006-9941.2012.01.009.
XU Rong, DONG Hai-shan, SUN Jie. Crystal Structure and Properties of 4-Amino-1,2,4-triazole NTO Salt[J]. Chinese Journal of Energetic Materials, 2012, 20(1):35-39. DOI:10.3969/j. issn.1006-9941.2012.01.009.

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历史
  • 收稿日期: 2010-10-08
  • 最后修改日期: 2011-05-21
  • 录用日期: 2011-06-07
  • 在线发布日期: 2012-02-23
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