Thermal Stability And Low Sensitivity Of Energetic Ionic Salts Based On 3,6-dinitroamine-[1,2,4] Triazolo [4,3-b] [1,2,4] Triazole

Nitrogen-rich fused-heterocycle compounds usually show high density,low sensitivity,excellent detonation performance and good thermal stability,which have promising applications as novel high-energy-density materials（HEDMs）.Some nitrogen-rich fused ring compounds are acidic or basic,so they can form energetic ion salts.Pairing with different anions and cations,the generated energetic salts have different properties,and more suitable energetic materials can be screened in different fields.This advantage makes them favored by more and more researchers at home and abroad.In this paper,3,6-dinitramine-[1,2,4]triazole[4,3-b][1,2,4]triazole（DNATT）was synthesized in the laboratory.Using DNATT as the parent,compound 1 and compound 2were prepared by neutralization reaction with ammonia water or hydroxylamine water solution,and compound 3-compound 7 were obtained by reaction with equivalent sodium hydroxide solution of corresponding hydrochloride.The structures of DNATT diaminoguanidine salt（compound 5）and DNATT semicarbazide salt（compound 7）were confirmed by single crystal X-ray diffraction analysis,and their crystal structures were comprehensively analyzed.Their intramolecular/intermolecular interactions were comprehensively analyzed by Hirshfeld surface analysis and NIC analysis.Through the microscopic molecular structure and the analysis of the interaction of intramolecular hydrogen bonds andππbonds,we can find that the density and thermal stability are consistent with its macroscopic measurement results.IR,~1H and ¹³C NMR,elemental analysis and differential scanning calorimetry（DSC）were used to characterize the structures of these compounds.All energetic ionic salts of DNATT show good thermal stability（T_d>164℃）,and most of them have acceptable sensitivity and good detonation performance.The measured density of these salts is between1.70 g cm^-3and 1.82 g cm^-3.The explosion pressure is 25.7 to 33.5 Gpa and the explosion velocity is 8272 to 9138 m s^-1calculated by Gaussian 09 and EXPLO5.Compound 2 has excellent detonation velocity(9138 m s^-1),even close to HMX(9144 m s^-1),and acceptable stability（T_d=191℃,IS=9 J,FS=220 N）,which indicates that it has a good application prospect in high energy density materials.