Synthesis and Properties of Energetic MOFs Based on Bis(3-Nitro-1H-1,2,4-triazole-5-yl) Amine: Advancing High Thermal Stability and Low Sensitivity

Energetic metal-organic frameworks (E-MOFs) have recently emerged as a promising strategy to address the long-standing challenge of reconciling energy and sensitivity in energetic materials. Nitrogen-rich compounds, with their abundant nitrogen atoms and superior enthalpy of formation, are particularly beneficial for forming multiple coordination bonds while simultaneously elevating the energy content. This makes them ideal ligand molecules for constructing E-MOFs. In this work, we report the synthesis and structural design of a novel series of E-MOFs, constructed from the nitrogen-rich energetic ligand BNTA and a range of alkali metals (Na-Rb, compounds <b>2</b>-<b>5</b>). The research indicates that the synthesized E-MOFs exhibit high thermal stability and low sensitivity. Specifically, Compound <b>3</b> displays a high decomposition temperature of 285 °C, with impact sensitivity and friction sensitivity values exceeding 40 J and 360 N, respectively. Moreover, Compound <b>3</b> also exhibits excellent computational detonation performance. Significantly, this study demonstrates how the aromatic character, coordination chemistry, and intermolecular interactions work synergistically to enhance the stability and safety of E-MOFs, thereby establishing fundamental criteria for engineering the next generation of energetic frameworks.