The novel high nitrogen-containing energetic complex [Cd(DAT)(6)](NO3)(2) was synthesized by reaction of Cd(NO3)(2)center dot 6H(2)O with 1,5-diamino-tetrazole (DAT). It was characterized by elemental analysis, FT-IR spectroscopy and single-crystal X-ray diffraction analysis. The central Cd2+ ion is coordinated by six nitrogen atoms from six DAT ligand molecules to form a hexacoordinate distorted octahedral compound. The [Cd(DAT)(6)]NO3)(2) molecules are linked together through two types of hydrogen bonds thus forming a stable three-dimensional net structure. The thermal decomposition mechanism of [Cd(DAT)(6)](NO3)(2) was investigated by DSC and TG/DTG analyses and FT-IR spectroscopy. The kinetic parameters of the exothermic process were studied by using Kissinger's and Ozawa-Doyle's methods.

A novel manganese complex Mn2(DAT)2Cl4(H2O)4, where DAT is 1,5-diaminotetrazole, was synthesized by the reaction of manganese(II) chloride tetrahydrate and 1,5-diaminotetrazole (DAT) in ethanol, and characterized by elemental analysis, FT-IR spectroscopy. The crystal structure was determined through X-ray single crystal diffraction. The molecular unit of Mn2(DAT)2Cl4(H2O)4 has a distorted octahedral structure, containing two central manganese cations, which coordinated by a mono-dentate terminal chloride, a bulky DAT ligand and two water molecules, and linked by two bidentate bridging chloride ligands. There are two main exothermic peaks and one endothermic peak in the thermal decomposition process, investigated by differential scanning calorimetry (DSC) and thermo-gravimetric analysis (TGA), the final residue of the title compound at 600 °C is MnO. The kinetic parameters of the endothermic process and two main exothermic processes were studied by applying the Kissinger's and Ozawa–Doyle's methods.

A mixed ligand complex of manganese (II) carbohydrazide azide, Mn (CHZ)2(N3)2 (CHZ=carbohydrazide), was synthesized and characterized by using elemental analysis and Fourier transform infrared (FT-IR) spectrum. Its crystal structure was determined by single crystal X-ray diffraction analysis. The crystal belongs to triclinic, (Pī) space group, a=8.2217(17) A, b=8.7427(18) A, c=9.4532 (19) Å, α=86.376 (4)°, β=69.104 (3)°, γ=74.019 (3)°, V=609.8(2) A3̊, Dc=1.738 g·cm-3, Z=2, R1=0.0316, wR2[I >2σ(I)]=0.0826 and S=1.132. The central Mn(II) ion is six-coordinated with two carbohydrazide molecules and two monodentate azido ligands, and carbohydrazide serves as bidentate ligands through the carbonyl oxygen atom and one of the terminal nitrogen atoms. The thermal decomposition mechanism of the complex was studied by using differential scanning calorimetry (DSC), thermogravimetry-derivative thermogravimetry (TG-DTG) and FT-IR techniques. Results show that the final residue of thermal decomposition at 500°C is MnO.

A new energetic compound (TAGH)2(TNR) (TAG: triaminoguanidine, TNR: 2,4,6-trinitroresorcinol) was prepared by reacting triaminoguanidine with 2,4,6-trinitroresorcinol (styphnic acid) in aqueous solution under nitrogen atmosphere, and characterized by elemental analysis and Fourier transform infrared (FTIR) spectra. Its crystal structure was determined by single crystal X-ray diffraction analysis. The crystal belonged to a monoclinic, C 2/c space group. The unit cell parameters were as follows: a=2.2892(6) nm, b=1.2802(3) nm, c=1.3661(4) nm, β=111.174(5)°, V=3.7333(16) nm3, and Z=8. The compound consisted of two cations C(N2H3)3+ and an anion (C6HN3O8)2−. The C(N2H3)3+ and (C6HN3O8)2− were bonded together by electrostatic attraction and hydrogen bonds, and this effect made the compound more stable. The thermal analysis of the compound was studied by using differential scanning calorimetry (DSC), thermogravimetry-derivative thermogravimetry (TG-DTG). Under nitrogen atmosphere with a heating rate of 10 K·min−1, the thermal decomposition of the compound contained only one intense exothermic decomposition process in the range of 450.1–477.7 K in the DSC curve, and the decomposition products were nearly gaseous products.

A new coordination Compound [Co(DAT)(6)](PA)(2)center dot 4H(2)O has been prepared by using 1,5-diaminotetrazole (DAT) as ligands and picrate (PA) as acidic anions, and structurally characterized by X-ray single crystal diffraction, elemental analysis and FT-IR spectroscopy. The cobalt(H) cation coordinates with six N atoms from six bulky DAT molecules to form a six-coordinated and slightly distorted octahedral configuration. The coordination cation is situated between two PA anions whose benzene-ring planes are parallel to each other. The coordination cation and the PA anions are bonded together by electrostatic forces in the molecular unit of [Co(DAT)(6)](PA)(2)center dot 4H(2)O. All the molecular units are linked together by the intermolecular hydrogen bonds to form the crystal structure, in the formation of which DAT ligand plays an important role. Thermal decomposition processes of [Co(DAT)(6)](PA)(2)center dot 4H(2)O were investigated by using DSC, TG-DTG and FT-IR analyses. The kinetic parameters of the first exothermic process of the title Compound were studied by applying the Kissinger's and Ozawa-Doyle's methods.