Abstract
Metal-organic framework (MOF)-based energetic material [Cu-3(MA)(2)(N-3)(3)] (1; MA=melamine) was synthesized and structurally characterized (47.55% N). The structural analysis revealed the existence of unusual multiwalled tubular channels and interweaving of single and double helical units in 1. The standard molar enthalpy of formation was found to be 1788.73 kJmol(-1), which is the highest value among previously reported MOF-based energetic materials. The calculated detonation properties showed that 1 can be used as a potential explosive. Sensitivity tests revealed that 1 is insensitive and thus can function as a high-energy-density material with a favorable level of safety.