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 1010.48 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.