新型低感含能材料N-(氟偕二硝基乙基)-1,5-二氨基四唑-1H的晶体结构及其热稳定性

N-(2-fluoro-2,2-dinitroethyl)-1,5-diaminotetrazole-1H was synthesized by a one-step Mannich reaction under mild conditions using 1,5-diaminotetrazole-1H and 2,2-fluorodinitroethanol as starting materials. Its molecular structure was determined by X-ray single crystal diffraction analysis. It crystallizes in orthorhombic system, space group Pca2₁, with a crystal density of 1.77 g•cm^-3 at 173 K. The different interactions in crystal were analyzed by Hirshfeld surface. In the analysis, the dominant intermolecular interactions in the crystal and their distributions were (R is a proportional abbreviation): R _{O•••H/H•••O}=27.0%, R _{N•••H/H•••N}=21.5%, R _{F•••O/O•••F/ F•••H/H•••F/N•••F/F•••N}=15.9%, mainly hydrogen bonding and halogen bonding interactions. The thermal stability was studied by thermogravimetry and differential scanning calorimetry (TG-DSC). At a heating rate of 5 ℃•min^-1, there was only one sharp decomposition peak with the temperature at 177.32 ℃, and the mass loss was 92.53% demonstrating a nearly complete decomposition at such temperature. Its activation energy were calculated by using Kissinger method and Ozawa method as 213.228 kJ•mol^-1, 209.984 kJ•mol^-1 respectively, which were shown. A spatial reticulated porous structure were observed according to the field emission-scanning electron microscopy (FE-SEM) analyses.