A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2022 Apr 1;78(Pt 2):133-139. doi: 10.1107/S2052520622000245. Epub 2022 Feb 19.

Abstract

A cocrystal explosive comprising 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and 1-methyl-2,4,5-trinitroimidazole (MTNI) (molar ratio, 1:1) was synthesized. The structure of the cocrystal was characterized by single-crystal X-ray diffraction. Its structure was further determined by powder X-ray diffraction, infrared spectroscopy and differential scanning calorimetry which showed that its morphology was different from the morphology of the mechanical mixture of two raw materials. The decomposition temperature of the cocrystal is lower than that of CL-20 and MTNI. The calculated detonation performance is slightly lower than that of HMX, but the cocrystal has excellent sensitivity performance relative to that of CL-20, even lower than that of RDX. These features make this cocrystal ideal to be used in applications with low-sensitivity requirements.

Keywords: 1-methyl-2,4,5-trinitroimidazole; 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane; cocrystal; differential scanning calorimetry; single crystal X-ray diffraction.

MeSH terms

  • Calorimetry, Differential Scanning
  • Crystallization / methods
  • Crystallography, X-Ray
  • Explosive Agents* / chemistry
  • X-Ray Diffraction

Substances

  • Explosive Agents