Structural Evolution of CL-20/HMX Cocrystals under High Pressure

The energetic cocrystal can modify and improve its energy density, sensitivity, and other properties compared with single-component explosives. This work reports the phase transition behavior and the roles of intermolecular interactions for CL-20/HMX energetic cocrystals in a hydrostatic pressure environment. Raman spectroscopy, infrared spectroscopy, and X-ray diffraction are employed to explore the structural evolution of the CL-20/HMX cocrystals under high pressure. The results reveal that the cocrystal undergoes the same conformation transitions as those of each single-component crystal, but the pressures of the phase transition slightly shift due to the intermolecular hydrogen bonding interaction. This study contributes to a fundamental understanding of energetic cocrystals under high pressure.