CHINESE JOURNAL OF ENERGETIC MATERIALS
+高级检索
3,5-二氨基-4-硝基吡唑五唑新型含能离子盐合成和性能
作者:
作者单位:

南京理工大学化学与化工学院, 江苏 南京 210094

作者简介:

喻儒靖(1997-),男,硕士研究生,主要从事含能材料研究。e-mail: yrj@njust.edu.cn

通讯作者:

刘雨季(1990-),男,讲师,主要从事新型含能化合物的设计与合成研究。e-mail: yujiliu@njust.edu.cn

基金项目:

国家自然科学基金资助(22175093)


Synthesis and Properties of a Novel Energetic Salt 3,5-diamino-4-nitro-1H-pyrazol-2-ium Pentazolate
Author:
Affiliation:

School of Chemistry and 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:

    以五唑钠盐为原料,与3,5-二氨基-4-硝基吡唑盐酸盐进行复分解反应合成了一种新型五唑非金属盐——3,5-二氨基-4-硝基吡唑五唑盐(3),并采用核磁共振(NMR)、X-射线单晶衍射分析(XRD)、傅里叶红外光谱(IR)和元素分析(EA)等分析手段对化合物3进行结构表征;利用差示扫描量热(DSC)和热重(TG)方法研究了化合物3的热分解过程,其初始分解温度为119.5 ℃,优于DABTT2+(N5-2、GU+N5-和AG+N5-等大部分的五唑非金属盐,并采用Kissinger和Ozawa方法计算其表观活化能;基于实测密度(1.71 g·cm-3)和计算生成焓(503.3 kJ·mol-1),采用Explo5 V6.05.02软件计算化合物3的爆速和爆压分别为8483 m·s-1和26.4 GPa;采用BAM法测得化合物3的撞击感度和摩擦感度分别为10 J和216 N。

    Abstract:

    A novel energetic non-metallic pentazolate salt, 3,5-diamino-4-nitro-1H-pyrazol-2-ium pentazolate (3), was synthesized by a metathesis reaction of 3,5-diamino-4-nitropyrazole hydrochloride with sodium pentazolate. The structure of 3 was characterized by nuclear magnetic resonance (NMR), single crystal X-ray diffraction analysis (SC-XRD), Fourier infrared spectroscopy (IR) and elemental analysis (EA). The study on thermal behavior of 3 by using differential scanning calorimetry (DSC) and thermogravimetry (TG) show that its onset decomposition temperature is 119.5 ℃, which is higher than most non-metallic pentazolate salts. The apparent activation energies were calculated based on DSC curves at different heating rates. Based on the measured density at room temperature (1.71 g·cm-3) and calculated enthalpy of formation (503.3 kJ·mol-1), the detonation performances of 3D=8483 m·s-1p=26.4 GPa) were calculated by Explo5 V6.05.02 software. The impact sensitivity and friction sensitivity of 3 are 10 J and 216 N, respectively.

    表 3 化合物3的理化性质及爆轰性能Table 3 Physiochemical properties and detonation performances of compound 3
    表 1 化合物3的晶体结构数据和精修参数Table 1 Crystal data and structure refinement details for compound 3
    图1 化合物3的(a) 晶体结构; (b) 分子平面性; (c) 三维堆积图; (d) 二维氢键网络图Fig.1 (a) Crystal structure of 3; (b) Molecular planarity of 3, (c) 3D supramolecular structure of 3, (d) 2D hydrogen bond network in 3
    图2 化合物3的(a)Hirshfeld表面; (b)二维指纹图; (c)原子间相互作用的比例Fig.2 (a) Hirshfeld surfaces of compound 3, (b) 2D fingerprint plot in crystal stacking of compound 3, (c) Pie graph for individual atomic contact percentage of compound 3
    图3 化合物3的TG-DSC曲线(N2气氛,5 ℃·min-1)Fig.3 TG-DSC curves of compound 3 under N2 at a heating rate of 5 ℃·min-1
    图4 化合物3的DSC曲线Fig.4 DSC curves of 3 under N2 at different heating rates
    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

喻儒靖,刘雨季,曾志伟,等.3,5-二氨基-4-硝基吡唑五唑新型含能离子盐合成和性能[J].含能材料, 2022, 30(3):222-227. DOI:10.11943/CJEM2021325.
YU Ru-jing, LIU Yu-ji, ZENG Zhi-wei, et al. Synthesis and Properties of a Novel Energetic Salt 3,5-diamino-4-nitro-1H-pyrazol-2-ium Pentazolate[J]. Chinese Journal of Energetic Materials, 2022, 30(3):222-227. DOI:10.11943/CJEM2021325.

复制
历史
  • 收稿日期: 2021-12-06
  • 最后修改日期: 2021-12-28
  • 录用日期: 2022-01-07
  • 在线发布日期: 2022-03-17
  • 出版日期: 2022-03-25