CHINESE JOURNAL OF ENERGETIC MATERIALS
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含能阳离子重构氢键网络实现4,4′,5,5′-四硝基-2,2′-联咪唑的性能提升
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作者单位:

1中北大学环境与安全工程学院, 山西 太原 030051;2中北大学化学与化工学院, 山西 太原 030051

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基金项目:

山西省基础研究项目(202403021221112, 202403021222133).


Energitic Cations Reconstruct the Hydrogen-bond Network to Achieve Enhanced Performance of 4,4′,5,5′- tetranitro-2,2′-biimidazole
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Affiliation:

1School of Environmental and Safety Engineering, North University of China, Taiyuan 030051, China;2School of Chemistry and Chemical Engineering, North University of China, Taiyuan 030051, China

Fund Project:

Grant support: Shanxi Provincial Basic Research Program (Nos. 202403021221112, 202403021222133)

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    摘要:

    4,4',5,5'-四硝基-2,2'-联咪唑(TNBI)作为一种综合性能优异的含能材料,展现出良好的应用潜力,但其显著的吸湿性缺陷限制了实际应用,根本原因在于其分子结构中的酸性氢极易与水形成氢键网络。为优化该问题,本研究利用钝感炸药3-氨基-4-(4,5-二氨基-1,2,4-三唑-3-基)-呋咱(TATF)取代了TNBI与水分子间的氢键网络,形成TNBI-TATF含能离子盐,并通过吸湿性实验、核磁共振、傅里叶红外光谱、TGA-DSC同步热分析仪和单晶衍射仪对新化合物的结构和性能进行了表征。结果显示TNBI2-与TATF+形成大量密集且方向性强的氢键网络,引导晶体形成层状堆积,从而通过“滑移”机制缓冲吸收外部机械冲击,降低机械感度,这使得TNBI-TATF兼具了良好的爆轰性能与安定性。

    Abstract:

    4,4',5,5'-Tetranitro-2,2'-biimidazole (TNBI), as an energetic material with excellent overall performance, exhibits promising application potential. However, its significant hygroscopicity severely limits practical application, primarily due to the acidic hydrogen atoms in its molecular structure that readily form hydrogen bonding networks with water. To address this issue, the insensitive explosive 3-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)furazan (TATF) was employed to replace the hydrogen bonding network between TNBI and water molecules, forming a TNBI-TATF energetic ionic salt. The structure and properties of the new compound were characterized by hygroscopicity experiments, nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), simultaneous thermogravimetric analysis-differential scanning calorimetry (TGA-DSC), and single-crystal X-ray diffractometry. Results show that TNBI²⁻ and TATF⁺ form a dense and highly directional hydrogen bonding network, guiding the crystal to adopt a layered packing arrangement. This layered structure buffers and absorbs external mechanical impact through a “slip” mechanism, thereby reducing mechanical sensitivity. Consequently, TNBI-TATF possesses both favorable detonation performance and stability.

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李仲超,李碧波,张树海,等. 含能阳离子重构氢键网络实现4,4′,5,5′-四硝基-2,2′-联咪唑的性能提升[J]. 含能材料,DOI:10.11943/CJEM2026082.

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  • 收稿日期: 2026-04-03
  • 最后修改日期: 2026-06-12
  • 录用日期: 2026-06-03
  • 在线发布日期: 2026-06-10
  • 出版日期: