Synthesis, Crystal Structure and Properties of 5-(4-Azidofurazan-3-yl)-[1, 2, 3] triazolo[4, 5-c]furazan Inner Salt

被引：0
|
作者：
Li Y.-N. [1 ]
Wang B. [1 ]
Zhang H.-W. [1 ]
Chen T. [1 ]
Hu J.-J. [1 ]
Chang P. [1 ]
机构：
[1] State Key Laboratory of Fluorine & Nitrogen Chemicals, Xi'an Modern Chemistry Research Institute, Xi'an
来源：
Huozhayao Xuebao/Chinese Journal of Explosives and Propellants | 2020年 / 43卷 / 01期
关键词：
5-(4-azidofurazan-3-yl)-[1; 2; 3]triazolo[4; 5-c]furazan inner salt(AFTF); Crystal structure; Detonation properties; Energetic materials; Furazano energetic compounds; Nitrogen-rich high energy density compounds; Organic chemistry;
D O I：
10.14077/j.issn.1007-7812.201812002
中图分类号：
学科分类号：
摘要：
A new hydrogen-free and nitrogen-rich energetic material, 5-(4-azidofurazan-3-yl)-[1, 2, 3]triazolo[4, 5-c]furazan inner salt, was synthesized via diazotization-azidation and oxidative-cyclization reactions using 3, 4-diaminofurazan as starting material. The structure of target compound was characterized by means of IR spectra, 1H NMR, 13C NMR, 14N NMR, 15N NMR and elemental analysis. The single crystal of AFTF was obtained and analyzed. The thermal stability of AFTF was studied by DSC method.The reaction mechanism of oxidative-cyclization was investigated. Based on the heats of formation calculated from CBS-QB3 method by Gaussian 09 program and the crystal density, the detonation parameters of AFTF were computed using EXPLO5 program. The results show that the crystal of AFTF belongs to a orthorhombic system and space group P2(1)2(1)2(1) with cell parameters: a= 8.1782(17) Å, b=8.6446(18) Å, c=11.521(2) Å, V=814.5(3) Å3, Z=4, μ=0.151mm-1, F(000)=440. DSC analysis showes the melting point and thermal decomposition peak temperature of AFTF are 101.02℃ and 186.39℃, respectively. The crystal density of AFTF is 1.795g/cm3 (296K), the content of nitrogen is 63.6%, the detonation velocity is 8.982km/s, the detonation pressure is 33.5GPa, the heat of formation is 1178.9kJ/mol and the detonation energy is 6450.8kJ/kg. As a hydrogen-free and nitrogen-rich high energy density compound with preferable detonation properties, AFTF can be applied to high energy propellants and gas generators, as well as the carrier of melt-cast explosives because of its low melting point. © 2020, Editorial Board of Journal of Explosives & Propellants. All right reserved.
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页码：28 / 32
页数：4
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