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

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.