2,4,4,6,8,8-Hexanitro-2,6-diazaadamantane: A High-Energy Density Compound with High Stability.

A novel high-performance energetic compound of the polynitroazaadamantane family, 2,4,4,6,8,8-hexanitro-2,6-diazaadamantane, was designed and synthesized from 1,5-cyclooctadiene by two routes. Based on the experimental and calculated results, it exhibits a surprisingly high density (1.959 g cm), high thermal stability (onset decomposition temperature of 235 °C), high positive heat of formation, and excellent detonation properties. These fascinating properties, which are comparable to those of CL-20, show great promise for potential applications as a high-energy density material.