A new CL‐20/1,4‐DNP cocrystal explosive with good comprehensive performance

Abstract

AbstractA new energetic cocrystal of 2,4,6,8,10,12‐hexanitrohexaazaisowurtzitane (CL‐20) and 1,4‐dinitropyrazole (1,4‐DNP) with a 1 : 1 molar ratio was prepared by slow solvent evaporation. This cocrystal belongs to monoclinic system with P21/c space group formed mainly by the CH−O, CH−N, and NO2−π interactions through analyzing the structures and interactions. CL‐20/1,4‐DNP cocrystal has a melting point of 132 °C with a decomposition temperature of 253 °C, showing an excellent stability. Moreover, the impact sensitivity of the cocrystal (13.5 J) is similar to that of 1,1‐diamino‐2,2‐dinitroethene (FOX‐7, 14 J), a typical insensitive energetic material, indicating a favorable low sensitivity. Furthermore, the detonation performances of the cocrystal (8954 m/s, 35.90 GPa) are slightly superior to that of 1,3,5‐trinitro‐1,3,5‐ triazacyclohexane (RDX, 8877 m/s, 34.94 GPa), suggesting that CL‐20/1,4‐DNP cocrystal has an excellent detonation property. Therefore, the CL‐20/1,4‐DNP cocrystal may be an attractive new explosive with a good comprehensive performance and thus, may be used as a promising candidate instead of RDX for safety ammunitions in future.