Well-balanced energetic cocrystals of H5IO6/HIO3 achieved by a small acid-base gap

Abstract Achieving a balanced oxidant-to-fuel ratio remains a challenge in the field of energetic materials. Now, oxygen-rich acids, H5IO6/HIO3 were combined with three weakly basic energetics (btrz: 4,4'-bis-1,2,4-triazole; atrz: 4,4'-azo-1,2,4-triazole; ICM-102: 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide) to form four cocrystals (1: H5IO6/btrz; 2: H5IO6/atrz; 3: 2HIO3/atrz; and 4: HIO3/ICM-102) through the close acid-base gap of two precursors. The oxygen balances of the four cocrystals increased significantly, especially cocrystal 3, where its available oxygen atoms provided by the two HIO3 molecules is 5. Simple preparation, 49.2% iodine content, and excellent detonation performance of cocrystal 3 makes it a promising energetic biocidal agent. Cocrystal 4 shows potential as both a biocidal agent and energetic material. This work provides a new route for preparing cocrystals and broadens application of oxidants for the development of well-balanced energetic materials.