Crystal engineering of energetic materials: Co-crystal of 2,4,6-trinitrophenol with modified performance and improved sensitivity

摘要

This study discusses the molecular structures and intermolecular interactions of pure Picric Acid and Picric acid-based energetic-non energetic co-crystal. We find that picric acid co-crystals arrange in layered motifs, while pure Picric Acid features irregular, herringbone packing. Overall, the non-covalent interactions govern the structures of the co-crystals. The results showed that it-stacked structures in explosives, particularly planar layers, are very helpful to decrease their impact sensitivities and to enhance their molecular stabilities. The physicochemical properties of the compounds are theoretically and experimentally investigated in detail. This exhaustive study of co-crystallization has resulted in the alteration of vital properties including density, oxygen balance, crystal packing and detonation performance (sensitivity, velocity, pressure). These results confirm that a layered packing and strong hydrogen bonding are among the key factors for insensitive co-crystal explosives. The co-crystals sensitivity was found to be about 70% less impact sensitive than Picric Acid, all of which illustrate how co-crystallizations can be utilized for successfully modifying specific aspects of energetic materials.