A new coordination compound based on 4-amino-3-(tetrazol-5-yl)-furazan (HAFT): preparation, crystal structure, and thermal properties

The green nitrogen-rich coordination compound Cd(SCZ)2(AFT)2 (1) (AFT =4-amino-3-(5-tetrazolate)-furazan and SCZ = semicarbazide) was first synthesized and characterized by EA and Fourier Transform Infrared (FT-IR). The single crystal was cultivated and determined with X-ray diffraction. It revealed that 1 crystallizes in the monoclinic space group P21/c. A Cd2+ ion is coordinated by four N atoms and two O atoms to form a distorted octahedral structure. Among them, two nitrogen atoms are from the two AFT ions and the other four atoms are from two SCZ molecules. The thermal decomposition behavior of 1 was studied with DSC and TG-DTG methods. The apparent activation energy (E), thermal stability, and safety parameters (T SADT, T TIT, and T b) were calculated for 1. Moreover, entropy of activation (ΔS ≠), enthalpy of activation (ΔH ≠), free energy of activation (ΔG ≠), specific heat capacity (C p), and impact sensitivity were also discussed in detail.