一维含能金属有机框架的合成与性能研究

doi:10.11896/j.issn.1005-023X.2018.02.013

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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

Published: 25 January 2018 Online: 2018-01-25

CLC number:

TJ55

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	Wei LIU
	Houhe CHEN

Cite this article:

Wei LIU,Houhe CHEN. 1D Energetic Metal-organic Frameworks: Synthesis and Properties[J]. Materials Reports, 2018, 32(2): 223-227.

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https://www.mater-rep.com/EN/10.11896/j.issn.1005-023X.2018.02.013 OR https://www.mater-rep.com/EN/Y2018/V32/I2/223

Synthesis device of [Fe(ATZ)(H₂O)₄·2H₂O]_n 1—Water bath;2—Thermometer;3—Graduated cylindrical separatory funnel;4—Clip;5—Flask with two necks; 6—Iron support

Crystal data and structure refinement parameters for [Fe(ATZ)(H₂O)₄·2H₂O]_n

Crystal structure of [Fe(ATZ)(H₂O)₄·2H₂O]_n

Coordination mode of Fe²⁺ and ATZ^2-

Infrared spectrum of [Fe(ATZ)(H₂O)₄·2H₂O]_n

DSC curve of [Fe(ATZ)(H₂O)₄·2H₂O]_n

Compound	O₂(g)	CO₂(g)	H₂O(g)	Fe₂O₃(s)	N₂(g)	NH₃(g)	C(s)
Δ_f $H m 0$ /(kJ·mol^-1)	0	-393.51	-241.82	-824.25	0	-46.11	0

Standard molar enthalpy of formation of several substances

Compound	Δ_c $U m 0$ 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

Detonation parameters and sensitivity of [Fe(ATZ)(H₂O)₄·2H₂O]_n

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