Molecular Structure and Thermal Behavior of 3,6-Dihydrazino-1,2,4,5-Tetrazine Nitrates

The single crystal of 3,6-dihydrazino-1,2,4,5-tetrazine nitrate (DHTz center dot HNO3) developed in binol/ethanol, is monoclinic, space group C2/c, with a = 13.i36(3)angstrom, b = 8.375(2)angstrom, c = 10.277(2)angstrom, V = 991.2(4)angstrom(3), beta=118.748 degrees(2), Z = 4. The thermal behavior of the title compoud was studied under a non-isothermal condition by DSC techniques. The result exhibits that DHTz center dot HNO3 undergoes a highly exothermic decomposition reaction process under a nonlinear isotherm rate, the apparent activation energy (E-a) and pre-exponential factor (A) of the exothermic decomposition reaction are 100.71 KJ.mol(-1) and 10(10.83) s(-1), respectively. The entropy of activation (Delta S-not subset of), enthalpy of activation (Delta H-not subset of) and free energy of activation (Delta G(not subset of)) are -39.57 J.mol(-1).K-1, 99.87 kJ.mol(-1) and 114.85 KJ.mol(-1), respectively.