Construction of Novel Fused-Ring Pyrazolo[3,4- d ][1,2,3]Triazine-2-Oxide-Based Insensitive Heat-Resistant Energetic Metal–Organic Frameworks

Abstract

Metal–organic frameworks (MOFs) are regarded as promising next-generation energetic materials due to their highly tunable structures and functionalities. However, Achieving both high energy performance and superior heat resistance in EMOFs is still a significant difficulty facing this field. This study employed two thermally stable fused-ring energetic ligands, 4-amino-5-nitro-7H-pyrazolo[3,4-d][1,2,3]triazine-2-oxide (PTO) and 4-oxo-5-nitro-7H-pyrazolo[3,4-d][1,2,3]triazine-2-oxide (OPTO), to successfully construct five novel heat-resistant EMOFs through a straightforward hydrothermal self-assembly approach. All compounds displayed favorable thermal stability, with their decomposition temperatures falling between 282.7 °C and 393.7 °C. Among them, Ni(PTO)2 demonstrated outstanding heat resistance (Td = 393.7 °C), insensitivity to mechanical stimuli (IS > 50 J, FS > 360 N), and excellent detonation performance (D = 8487 m s–1, P = 37.2 GPa), indicating its potential as a high-performance heat-resistant EMOF material.