Hydrogen Peroxide Solvates of 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane

Two polymorphic hydrogen peroxide solvates of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20; wurtzitane is an alternative name to iceane) were obtained using hydrated α-CL-20 as a guide. These novel H2O2 solvates have high crystallographic densities (1.96 and 2.03 g cm−3, respectively), high predicted detonation velocities/pressures (with one solvate performing better than ϵ-CL-20), and a sensitivity similar to that of ϵ-CL-20. The use of hydrated materials as a guide will be important in the development of other energetic materials with hydrogen peroxide. These solvates represent an area of energetic materials that has yet to be explored.