The Synthesis And Properties Of 3,3’-bis（1H-Tetrazol-5-yl）-4,4’-azofurazan（H₂BTZAF） High-Energy Ionic Salts

Since 3-amino-（4-1H-tetrazol-5-yl）furazan itself has combined the advantages of the tetrazole ring and the furazan ring,the introduction of azo group by the amino group in the molecule can not only improve the molecular nitrogen content and reduce hydrogen content,but also can increase the enthalpy of formation and insensitivity of the molecule.In this paper,the compound3,3’-bis（1H-tetrazol-5-yl）-4,4’-azofurazan（H₂BTZAF）was synthesized using 3-amino-（4-1H-tetrazol-5-yl）furazan as the precursor,and its theoretical properties were studied by different DFT basis sets.Then eight energetic ionic salts:K₂BTZAF,G₂BTZAF,（AG）₂BTZAF·2H₂O,[Li（H₂O）₄]₂BTZAF,KHBTZAF,Ca（H₂O）₈BTZAF,Ba（H₂O）₆BTZAF,Cd（DMF）₂BTZAF were synthesized using H₂BTZAF as the parent compound,and the corresponding structural characterization and performance study were carried out.（1）The primary structures of nine compounds were analyzed by EA and FT-IR methods,and then the single crystal structures of compounds G₂BTZAF,（AG）₂BTZAF·2H₂O,[Li（H₂O）₄]₂BTZAF,KHBTZAF,Ca（H₂O）₈BTZAF,Ba（H₂O）₆BTZAF,Cd（DMF）₂BTZAF were determined by X-ray diffractometer.（2）The thermal decomposition of nine compounds was studied by DSC-TG/DTG method.The results showed that the formation of energetic ionic salts can effectively improve the thermal stability of the compounds.The related parameters of thermal decomposition kinetics of compounds were calculated by Kissinger and Ozawa method,and the kinetic mechanism equations of thermal decomposition reaction of nine compounds were calculated by non-isothermal decomposition kinetics method.（3）The relationship between C_p and T of nine compounds was measured using a Micro-DSCⅢmicrocalorimeter.Based on this,the thermodynamic functions of nine compounds were calculated,including H_T,S_T and G_T.（4）TheΔ_cU of nine compounds was measured using an IKA C5000 oxygen bomb calorimeter,and then theΔ_fH_m^θof seven compounds were calculated according to Hess’s law.（5）Through the obtained thermodynamic parameters and C_p equation,the thermal safety properties of the compounds were analyzed,including:T_SADT,T_TIT,T_b,t _TIAD,etc.The D and P values of the compounds were calculated by the crystal density of the compounds and the calculatedΔ_fH_m^θvalues using the Kamlet-Jacobs equation.（6）Using the drop weight device,the impact sensitivity of nine compounds was determined by selecting different drop weights and drop heights.