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Solvate of 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-Hexaazaisowurtzitane (CL-20) with both N2 O4 and Stable NO2 Free Radical.

A new solvate of a powerful explosive 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and liquid oxidizer N2 O4 has been synthesized. When stored at room temperature, the white crystals turn yellowish brown, which indicates partial dissociation of N2 O4 with the formation of a stable NO2 free radical, which is confirmed by ESR spectroscopy. The resulting solvate was analyzed by powder X-ray diffraction, IR-spectroscopy, differential scanning calorimetry and thermogravimetric analysis. The vapor pressure of NO2 above the solvate crystals is similar to the pressure above common hydrates. The presence of the NO2 radical does not affect the thermal stability of CL-20. However, under closed conditions, NO2 increases the rate of the autocatalytic decomposition reaction. The kinetics of this reaction at the surface temperature determine the burning rate of the solvate. The novel solvate has a high density (1.98 g cm-3 ), a high predicted detonation velocity and pressure, and sensitivity to impact slightly higher to that of ϵ-CL-20.