Solvent-Free Lithium/Sodium-Based Metal–Organic Frameworks with Versatile Nitrogen-Rich Ligands: Insight for the Design of Promising Superheat-Resistant Explosives

Energetic metal–organic frameworks (EMOFs) are very promising as heat-resistant explosives, affording both thermal stability and energy properties. In this work, the self-assembly of high-energy nitrogen-rich linkers with nontoxic alkali-metal lithium/sodium leads to four new solvent-free EMOFs. Because of unparalleled decomposition temperature ( T dec = 403 °C) and heats of detonation (3.475 kcal·g –1 ), a 3D Li(I)-EMOF can be considered to be a superheat-resistant explosive candidate.