Novel magnesium salt based on BTATz: Crystal structure, thermal behavior and thermal safety

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.

Keywords

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

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