Anionic metal–organic frameworks lead the way to eco-friendly high-energy-density materials

Abstract

To develop environmentally friendly high-energy-density materials with outstanding detonation performances, anionic metal–organic frameworks (anionic MOFs) are introduced into the area of energetic materials. In this work, two anionic complexes, [(AG)₃(Co(btm)₃)] (1) and {[(AG)₂(Cu(btm)₂)]}_n (2) (H₂btm = bis(tetrazole)methane, AG = aminoguanidinium), have been prepared and characterized by single-crystal X-ray diffraction analysis. Theoretical analyses predict that these two anionic energetic MOFs should show extensive hydrogen bonding with remarkably high nitrogen contents, good thermal stabilities, favorable insensitivities, and excellent detonation performances, and this has been confirmed by experimental results. Notably, the heats of detonation of 1 (4.75 kcal g⁻¹) and 2 (5.41 kcal g⁻¹) are far superior to those of all hitherto reported MOF-based high-energy-density materials.