A highly stable and tightly packed 3D energetic coordination polymer assembled from nitrogen-rich tetrazole derivatives

Abstract

An energetic coordination polymer ([Cd(BTA)(H₂O)]_n1 (H₂BTA = N,N-bis(1(2)H-tetrazol-5-yl)-amine)) was solvothermally synthesized and structurally characterized. The structural analyses illustrate that compound 1 exhibits a nonporous, tightly packed 3D PtS framework. Compared with the porous 3D metal–organic framework CoBTA (CoBTA = [Co₉(bta)₁₀(Hbta)₂(H₂O)₁₀]_n), 1 displays higher density, better water resistance and thermal stability, and lower sensitivities. The enthalpy of formation of 1 is 0.7519 kJ g⁻¹, which is higher than that of the traditional explosive 2,4,6-trinitrotoluene (TNT, −0.2952 kJ g⁻¹). The detonation velocity (D) and detonation pressure (P) of 1 were calculated to be 6.283 km s⁻¹ and 21.64 GPa, respectively. Sensitivity tests reveal that 1 is insensitive to external stimuli. Based on the evaluation of energetic performance, 1 can act as an energetic candidate material with an approved level of safety.