Synthesis,crystal structure and thermal decomposition of a novel environmentally friendly energetic cesium compound,[Cs 2 (HTNR)(OH)(H 2 O)] n

Abstract

A novel energetic cesium compound based on trinitroresorein, [Cs₂(HTNR)(OH)(H₂O)]_n (H₂TNR: 2,4,6-trinitroresorcinol) has been synthesized by the reaction of cesium nitrate and styphnic acid. The molecular structure was characterized by using X-ray diffraction analysis, elemental analysis and FT-IR analysis. The crystalline material is monoclinic with space group P2(1)/c and the empirical formula is Cs₂C₆H₅N₃O₁₀. The unit cell parameters are: a = 6.843(1) Å, b = 10.185(2) Å, c = 19.026(4) Å, β = 96.21(1)°, V = 1318.21(40) ų, Z = 4, D_c = 2.746 Mg/m³, M_r = 544.95, F(000) = 1008, μ(Mo K_α) = 5.588 mm⁻¹. The thermal decomposition mechanism of the compound was studied by differential scanning calorimetry (DSC) and thermo-gravimetric derivative (TG-DTG) techniques. At the linear heating rate of 10°C/min, the thermal decomposition of the compound finally evolved CsCN and other gas products, which indicated three decomposition processes between 60 and 500°C.