Novel Magnesium Salt Based on BTATz：Crystal Structure, Thermal Behavior and Thermal Safety

doi:10.1007/s40242-013-2350-1

Chemical Research in Chinese Universities ›› 2013, Vol. 29 ›› Issue (4): 627-631.doi: 10.1007/s40242-013-2350-1

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Novel Magnesium Salt Based on BTATz：Crystal Structure, Thermal Behavior and Thermal Safety

ZHANG Xian-bo¹, REN Ying-hui^1,2, LI Wen¹, ZHAO Feng-qi², WANG Bo-zhou², SONG Ji-rong^1,3

1. Shaanxi Key Laboratory of Physico-inorganic Chemistry, School of Chemical Engineering, Northwest University, Xi'an 710069, P. R. China;
2. Science and Technology on Combustion and Explosion Laboratory, Xi'an Modern Chemistry Research Institute, Xi'an 710065, P. R. China;
3. Conservation Technology Department, The Palace Museum, Beijing 100009, P. R. China

Received:2012-09-12 Revised:2012-11-27 Online:2013-08-01 Published:2013-07-15
Contact: REN Ying-hui E-mail:renyinghui_ren@163.com
Supported by:
Supported by the National Natural Science Foundation of China(No.21101127), the Natural Science Basic Research Plan in Shaanxi Province of China(No.2011JQ2002), the China Postdoctoral Science Foundation Funded Project(No.20110491676), the National Defense Pre-research Foundation of China(No.9140A28020111BQ3401) and the National Defense Pre-research Foundation of China(No.A312011005).

Abstract

Abstract:

A new high-energy organic magnesium salt[Mg(H₂O)₆](BTATz)·2H₂O[BTATz=3,6-bis(1H-1,2,3,4-tetrazol-5-yl-amino)-1,2,4,5-tetrazine] was synthesized and characterized by elemental analysis and Fourier transform infrared(FTIR) spectrometry. Its crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic system with space group C2/c and a=2.1329(7) nm, b=0.52275(16) nm, c=1.5909(5) nm, β=100.471(6)°, V=1.7443(9) nm³, Z=4, μ=0.361 mm^-1, F(000)=900 and D_c=1.644 g/cm³. Meanwhile, the thermal behavior of[Mg(H₂O)₆](BTATz)·2H₂O was studied under the non-isothermal conditions by differential scanning calorimetry(DSC) and thermalgravity-differential thermalgravity(TG-DTG) methods. The enthalpy, apparent activation energy and per-exponential factor of the main exothermic decomposition reaction are 898.88 J/g, 139.2 kJ/mol and 10^10.48 s^-1, respectively. The values of the self-accelerating decomposition temperature(T_SADT), the thermal ignition temperature(T_TIT) and the critical temperature of thermal explosion(T_b) for[Mg(H₂O)₆](BTATz)·2H₂O are 515.13, 532.08 and 565.99 K, respectively.

Key words: 3,6-Bis(1H-1,2,3,4-tetrazol-5-yl-amino)-1,2,4,5-tetrazine, Magnesium salt, Crystal structure, Thermal behavior, Thermal safety

ZHANG Xian-bo, REN Ying-hui, LI Wen, ZHAO Feng-qi, WANG Bo-zhou, SONG Ji-rong. Novel Magnesium Salt Based on BTATz：Crystal Structure, Thermal Behavior and Thermal Safety[J]. Chemical Research in Chinese Universities, 2013, 29(4): 627-631.

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Novel Magnesium Salt Based on BTATz：Crystal Structure, Thermal Behavior and Thermal Safety

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