CHINESE JOURNAL OF ENERGETIC MATERIALS
+高级检索
3-硝氨基-4-偕二硝基甲基呋咱二肼盐:合成、结构及性能
作者:
作者单位:

1.中国北方化学工业集团有限公司, 北京 100089;2.南京理工大学化工学院

作者简介:

通讯作者:

基金项目:

国家自然科学基金-联合基金资助(U1530101)


Dihydrazinium 3-Dinitromethyl-4-nitraminofurazan: Synthesis, Structure and Performance
Author:
Affiliation:

1.China North Chemical Industries Group Corporation Limited, Beijing 100089, China;2.School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China

Fund Project:

  • 摘要
  • |
  • 图/表
  • |
  • 访问统计
  • |
  • 参考文献
  • |
  • 相似文献
  • |
  • 引证文献
  • |
  • 资源附件
    摘要:

    以3-氨基-4-偕氯肟呋咱为原料,通过五步反应制备得到3-硝氨基-4-偕二硝基甲基呋咱二肼盐(化合物6)。采用核磁(氢谱、碳谱),红外,元素分析和X射线单晶衍射表征确定了其结构。结果表明,其晶体属于单斜晶系,P21/n空间群,晶胞参数为a=3.7236(4) Å;b=14.3867(18) Å;c=20.386(2) Å;β=92.432(5)°;V=1091.1(2) Å3Z=4;Dc=1.815 g·cm-3。晶体中,阳离子与阴离子之间存在的大量氢键作用,这有利于分子稳定性的提高。水合肼的加入导致了N, N'-亚甲基联3-硝氨基-4-偕二硝基甲基呋咱(化合物5)中C—N键的断裂和化合物6的生成。依据Gaussian 09计算得到化合物6的生成焓为291.7 kJ·mol-1,采用经验公式计算得其室温下(298 K)晶体密度为1.782 g·cm-3。使用EXPLO 5计算得到化合物6的爆速(D)与爆压(p)分别为9032 m·s-1,35.9 GPa,优于黑索今(D=8848 m·s-1p=34.8 GPa)。通过BAM标准方法测得化合物6的撞击感度为4 J,摩擦感度为76 N。

    Abstract:

    Dihydrazinium 3-dinitromethyl-4-nitraminofurazan (compound 6) was prepared via five steps of reaction using 3-amino-4-chloroximinofurazan as raw material. Its structure was characterized and determined by nuclear magnetic resonance (1H spectrum and 13C spectrum), infrared spectroscopy, element analysis, and X-ray single crystal diffraction. Results show that the crystal belongs to monoclinic system with space group P21/n and unit cell parameters of a=3.7236(4) Å, b=14.3867(18) Å, c=20.386(2) Å, β=92.432(5)°, V=1091.1(2) Å3, Z=4, Dc =1.815 g cm-3. A large number of hydrogen bonds exist between cations and anions in the crystal, which is conducive to the improvement of molecular stability. The addition of hydrazine results in the cleavage of the C—N bond in N, N'-methylene-3-nitroamino-4-dinitromethylfurazan (compound 5) and the formation of compound 6. The enthalpy of formation of compound 6 calculated by Gaussian 09 is 291.7 kJ·mol-1 and the crystal density at 298 K calculated by empirical formula is 1.782 g·cm-3, the detonation velocity(D) and detonation pressure (p) of compound 6 calculated by EXPLO 5 are 9032 m·s-1 and 35.9 GPa, respectively, which are superior than those (D=8848 m·s-1, p=34.8 GPa) of RDX. The impact sensitivity of compound 6 determined by standard BAM method is 4 J and the friction sensitivity is 76 N.

    参考文献
    相似文献
    引证文献
文章指标
  • PDF下载次数:
  • HTML阅读次数:
  • 摘要点击次数:
  • 引用次数:
引用本文

林智辉,孙琦,陆明.3-硝氨基-4-偕二硝基甲基呋咱二肼盐:合成、结构及性能[J].含能材料, 2018, 26(10):864-868. DOI:10.11943/CJEM2018161.
LIN Zhi-hui, SUN Qi, LU Ming. Dihydrazinium 3-Dinitromethyl-4-nitraminofurazan: Synthesis, Structure and Performance[J]. Chinese Journal of Energetic Materials, 2018, 26(10):864-868. DOI:10.11943/CJEM2018161.

复制
历史
  • 收稿日期: 2018-06-20
  • 最后修改日期: 2018-09-12
  • 录用日期: 2018-08-29
  • 在线发布日期: 2018-09-06
  • 出版日期: 2018-10-25