CHINESE JOURNAL OF ENERGETIC MATERIALS
+高级检索
7-羟基三呋咱并[3,4-b:3′,4′-f:3″,4″-d]氮杂环庚三烯的合成与性能
作者:
作者单位:

1.西安近代化学研究所, 陕西 西安 710065;2.氟氮化工资源高效开发与利用国家重点实验室, 陕西 西安 710065

作者简介:

通讯作者:

基金项目:

国家自然科学基金资助(21805224)


Synthesis and Properties of 7-Hydroxytrifurazano[3,4-b:3′,4′-f:3″,4″-d]azepine
Author:
Affiliation:

1.Modern Chemistry Research Institution, Xi′an 710065, China;2.State Key Laboratory of Fluorine & Nitrogen Chemicals, Xi′an 710065, 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3,4-双(4′-硝基呋咱-3′-基)呋咱为原料,与羟胺溶液一步法合成了一种新型七元环化合物7-羟基三呋咱并[3,4-b: 3′,4′-f:3″,4″-d]氮杂环庚三烯(HYTF),并利用红外光谱、核磁共振、元素分析对产物进行了表征。通过规范不变原子轨道方法完成了HYTF的13C NMR和15N NMR理论模拟,结合实验数据实现了HYTF的13C NMR和15N NMR的准确归属。发现3,4-双(4′-硝基呋咱-3′-基)呋咱与羟胺在不同反应温度条件下可分别生成HYTF和7H-三呋咱并[3,4-b:3′,4′-f:3″,4″-d]氮杂环庚三烯(HATF),提出了HYTF与羟胺作用生成HATF的反应机理。基于实测密度(ρ=1.86 g·cm-3)和预估生成焓(ΔfH(s)=573.8 kJ·mol-1),利用Explo5(V6.04)软件预估HYTF的爆速和爆压分别为8181 m·s-1和28.0 GPa。采用差示扫描量热仪(DSC)研究了HYTF的热分解过程,其热分解峰温为161.8 ℃。

    Abstract:

    A new seven-membered cyclic compound 7-hydroxytrifurazano[3,4-b:3′,4′-f:3″,4″-d]azepine (HYTF) was synthesized using bis(3-nitrofurazan-4-yl)furazan and hydroxylamine solution as starting materials. The structure of HYTF was characterized by IR, 13C and 15N NMR and elemental analysis. The chemical shifts of 13C and 15N NMR for HYTF were assigned based on the experimental results and theoretical simulation (Gauge Independent Atomic Orbital). 7-Hydroxytrifurazano[3,4-b:3′,4′-f:3″,4″-d]azepine (HYTF) and 7H-trifurazano[3,4-b:3′,4′-f:3″,4″-d]azepine (HATF) could be synthesized by controlling the reaction temperature, and their formation mechanism were proposed and illuminated. Based on the experimental density (ρ=1.86 g·cm-3) and calculated enthalpy of formation(ΔfH(s)=573.8 kJ·mol-1), the detonation velocity (8181 m·s-1) and detonation pressure (28.0 GPa) of HYTF were calculated by Explo5 (V6.04). In addition, the thermal stability (Tdec=161.8 ℃) was analyzed by differential scanning calorimetry (DSC).

    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

翟连杰,霍欢,吴敏杰,等.7-羟基三呋咱并[3,4-b:3′,4′-f:3″,4″-d]氮杂环庚三烯的合成与性能[J].含能材料, 2020, 28(11):1043-1047. DOI:10.11943/CJEM2020127.
ZHAI Lian-jie, HUO Huan, WU Min-jie, et al. Synthesis and Properties of 7-Hydroxytrifurazano[3,4-b:3′,4′-f:3″,4″-d]azepine[J]. Chinese Journal of Energetic Materials, 2020, 28(11):1043-1047. DOI:10.11943/CJEM2020127.

复制
历史
  • 收稿日期: 2020-05-26
  • 最后修改日期: 2020-09-26
  • 录用日期: 2020-07-20
  • 在线发布日期: 2020-09-23
  • 出版日期: 2020-11-25