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《材料导报》期刊社  2018, Vol. 32 Issue (2): 223-227    https://doi.org/10.11896/j.issn.1005-023X.2018.02.013
  物理   材料研究 |材料 |
一维含能金属有机框架的合成与性能研究
刘威,陈厚和
南京理工大学化工学院,南京 210094
1D Energetic Metal-organic Frameworks: Synthesis and Properties
Wei LIU,Houhe CHEN
School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094
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摘要 

为制备高能绿色起爆药,以5,5'-偶氮四唑钠盐为前驱体,硝酸亚铁提供金属离子,采用溶剂挥发法合成了一维含能金属有机框架化合物[Fe(ATZ)(H2O)4·2H2O]n。利用红外光谱、元素分析、X射线单晶衍射对其结构进行了表征和分析,用差式扫描量热仪分析了该化合物的热分解性能。基于最大放热原则,应用广义的Kamlet-Jacobs方法计算了化合物的爆轰性能,并对其撞击感度进行了测试。结果表明,该一维含能金属有机框架化合物的理论爆热、爆压、爆速分别为2 294.73 kJ/mol、34.54 GPa和8.83 km/s,撞击感度H50为39.0 cm,具有典型起爆药的特征,可作为一种优异的高能绿色起爆药。

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刘威
陈厚和
关键词:  金属有机框架 含能材料 5  5'-偶氮四唑钠盐 起爆药 含能配合物    
Abstract: 

To prepare high-energy green initiating explosive, an one-dimension energetic metal-organic frameworks (1D EMOFs) , [Fe(ATZ)(H2O)4·2H2O]n, based on sodium 5,5'-azotetrazolate salt and ferrous ion has been synthesized by solvent evaporation method. The structure of product was fully characterized by IR spectroscopy, elemental analysis and single-crystal X-ray diffraction. The thermal decomposition performance of product was researched by differential scanning calorimetry. In addition, detonation performances of compounds was predicted by arbitrary theory of the Kamlet-Jacobs method which bases on the largest exothermic principle. Moreover, the impact sensitivity of 1D EMOFs was also tested. Results show that the detonation heat, detonation pressure and detonation velocity of [Fe(ATZ)(H2O)4·2H2O]n were 2 294.73 kJ/mol, 34.54 GPa and 8.83 km/s, respectively, and the impact sensitivity was 39.0 cm. With characteristics of typical primers, the 1D EMOFs could be used as a high-energy green initiating explosive.

Key words:  metal-organic frameworks    energetic material    sodium 5    5'-azotetrazolate salt    initiating explosive    energetic coordination complex
               出版日期:  2018-01-25      发布日期:  2018-01-25
ZTFLH:  TJ55  
引用本文:    
刘威,陈厚和. 一维含能金属有机框架的合成与性能研究[J]. 《材料导报》期刊社, 2018, 32(2): 223-227.
Wei LIU,Houhe CHEN. 1D Energetic Metal-organic Frameworks: Synthesis and Properties. Materials Reports, 2018, 32(2): 223-227.
链接本文:  
http://www.mater-rep.com/CN/10.11896/j.issn.1005-023X.2018.02.013  或          http://www.mater-rep.com/CN/Y2018/V32/I2/223
图1  [Fe(ATZ)(H2O)4·2H2O]n的合成装置
Compound [Fe(ATZ)(H2O)4·2H2O]n
Empirical formula C2H12FeN10O6
Formula weight 328.07
Crystal system Triclinic
Space group P-1
T/K 170
a/? 6.209 1
b/? 6.910 0
c/? 7.852 1
α 76.122
β 74.308
γ 70.427
V/?3 301.43
Z 1
Density, calculated/(g/cm3) 1.807 18
μ/mm-1 1.298
F(000) 168
Independent reflections 1 061
Data/restraint/parameters 1 061/9/100
Goodness-of-fit on F2 1.135
表1  [Fe(ATZ)(H2O)4·2H2O]n的晶体数据和结构精修参数
图2  [Fe(ATZ)(H2O)4·2H2O]n的晶体结构(电子版为彩图)
图3  Fe2+与ATZ2-的配位模式(电子版为彩图)
图4  [Fe(ATZ)(H2O)4·2H2O]n的红外光谱
图5  [Fe(ATZ)(H2O)4·2H2O]n的DSC曲线
Compound O2(g) CO2(g) H2O(g) Fe2O3(s) N2(g) NH3(g) C(s)
ΔfHm0/(kJ·mol-1) 0 -393.51 -241.82 -824.25 0 -46.11 0
表2  几种物质的标准摩尔生成焓
Compound ΔcUm0
kJ·mol-1
Q
kJ·mol-1
N
mol·g-1
M
g·mol-1
ρ0
g·cm-3
D
km·s-1
P
GPa
IS
cm
[Fe(ATZ)2(H2O)4]n -3 424.36 2 294.73 0.03 22.40 1.81 8.83 34.54 39
表3  [Fe(ATZ)(H2O)4·2H2O]n的爆轰参数和感度
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