Alkali Metals‐Based Energetic Coordination Polymers as Promising Primary Explosives: Crystal Structures, Energetic Properties, and Environmental Impact

Coordination polymers (CPs) consisting of alkali metals (Na, K, Rb, and Cs) and a powerful nitrogen‐ and oxygen‐rich energetic ligand (4,4′‐bis(dinitromethyl)‐3,3′‐bisnitramide‐methylene‐furazanate, DBMF 2− ) were developed. Molecular structures of these CPs, confirmed by single‐crystal X‐ray diffraction analysis, indicated that the same ligand takes on a U‐shaped state for Na and an N ‐ shaped state for K, Rb, and Cs. Explosion tests demonstrated that both Na 2 DBMF and K 2 DBMF efficiently detonated the secondary explosive RDX. This indicates that they are both effective primary explosives. K 2 DBMF exhibits better calculated detonation performance ( D : 8227 m s −1 ; P : 32.5 GPa) than the primary explosive Pb(N 3 ) 2 . In addition, toxicity tests and evaluation of their decomposition products reveal their low impact on the environment. Both experimental results and theoretical analyses indicate that the combination of alkali metals and a powerful energetic ligand can stimulate the development of primary explosives.