Crystal Structure and Thermal Decomposition of 5-Aminotetrazole Trinitrophloroglucinolate

摘要: Abstract 5-Aminotetrazole trinitrophloroglucinolate ((ATZ)TNPG) was prepared and characterized by elemental analysis FT-IR spectroscopy. The crystal structure determined X-ray diffraction it belonged to orthorhombic system Pbca space group with a=0.6624(2) nm, b=1.7933(4) c=2.3117(5) V=2.7458(9) nm3, Z=4, Dc=1.849 g·cm−3. molecular formula confirmed be (ATZ)TNPG·2H2O. cation (ATZ+) trinitrophloroglucinol anion (TNPG−) were linked into 2-D layers along b-axis c-axis hydrogen bonds. Then the a-axis bonds between water molecules belonging different layers. thermal decomposition mechanism of compound studied differential scanning calorimetry (DSC), thermogravimetry-thermogravimetric (TG-DTG), Fourier transform-infrared (FT-IR) spectroscopy techniques. Under nitrogen atmosphere a heating rate 10 °C·min−1, experienced one endothermic process peak temperature 76 °C exothermal 203 °C. former dehydrate process. latter TNPG− ATZ+ in compound. exothermic enthalpy change this −212.10 kJ·mol−1. kinetic parameter calculation from Kissinger's method were, E=132.1 kJ·mol−1, ln(A/s−1)=12.54 r=0.9990, results Ozawa-Doyle's E=133.1 kJ·mol−1 r=0.9992.