Synthesis, Crystal Structure and Thermal Decomposition of a New Energetic Potassium Salt of dihydridobis(3-nitro-1,2,4-triazolyl) Borate

A new energetic organic potassium salt of dihydridobis (3-nitro-1,2,4-triazolyl) borate was synthesized from 3-nitro-1,2,4-triazole and potassium borohydride at 110 °C, and structurally characterized by elemental analysis, IR spectra, 13C NMR and singlecrystal X-ray diffraction. Results show that the crystal belongs to monoclinic system with space group of p21 / C and cell parameters of a = 10.335 (8) Å, B = 10.812 (8) Å, C = 9.821 (8) Å, α = 90 °, β = 106.470 (13), γ = 90 °, z = 4. Its crystal density is 1.755g/cm3. Thermal properties were studied with TG-DTA and DSC. There was only one sharp decomposition peak temperature of 270 °C at the heating rate of 10 °C/ min-1. The activation energies EK = 48.0kJ/mol-1 and EO = 49.8kJ/mol-1 were calculated by the Kissinger method and Ozawa method respectively (CCDC: 1975139).