A promising hydrogen peroxide adduct of ammonium cyclopentazolate as a green propellant component

A novel H2O2 adduct of ammonium cyclopentazolate, NH4N5·½H2O2, was readily synthesized by a simple and effective method. This adduct, as determined by single-crystal X-ray diffraction, has a cyclo-N5− anion, an ammonium ion and ½H2O2 molecule in the asymmetric unit. In this structure, H2O2 molecules are incorporated into the crystal lattices of NH4N5, forming an interesting three-dimensional (3D) network structure in which cyclo-N5− ions are stacked layer by layer and NH4+ ions are intercalated into the layers and connected the layers through hydrogen bonds. This novel solvate, NH4N5·½H2O2, has a high oxygen balance (−22.86% based on CO2), high calculated detonation velocity and pressure (8938 m s−1 and 26.37 GPa) and an impressive specific impulse (259.97 s) much higher than that of anhydrous NH4N5. Moreover, the combustion products of this solvate mainly include nontoxic N2, H2 and H2O. This simple and effective strategy of combining NH4N5 with H2O2 is highly desirable for future studies on the development of disruptive energetic materials.