Solvent\nVapor/Gas-Induced\nGuest Transport and Exchange\nof a Nonporous Organic Crystal to Construct Smart Host–Guest\nEnergetic Materials

Supramolecular\nmaterials with advanced properties constructed\nby\nintermolecular interactions have attracted extensive attention in\nmany fields, such as sensing, catalysis, and biomedicine. However,\nin the field of energetic materials, limited by the tight-packed crystal\nstructure of explosives and the strong intermolecular interaction\nforces, most supramolecular explosives can only be obtained in organic\nsolution or under extreme external loading (high temperature/high\npressure). Given the practical issues such as safety risks, operational\ndifficulties, serious environmental pollution, and large-scale production\nof the existing technology, a new method of constructing host–guest\nexplosives by solvent vapor/gas induction is proposed. This gas–solid\nreaction method takes advantage of the metastable properties from\nthe explosives solvate (HNIW/ACN), and cleverly opens a fast channel\nfor gas molecules to enter the explosives cell cavities, which results\nin the highly efficient preparation of the host–guest explosives\n(HNIW/CO<sub>2</sub> and HNIW/N<sub>2</sub>O). The embedding of functional\ngas molecules greatly improves the structural stability and comprehensive\nperformance of the explosive skeleton, and the detonation velocity\nof HNIW/N<sub>2</sub>O even reaches 9802 m·s<sup>–1</sup>, which is higher than that of ε-HNIW (9455 m·s<sup>–1</sup>). In addition, compared with ε-HNIW, HNIW/CO<sub>2</sub> and\nHNIW/N<sub>2</sub>O exhibit high energy but low sensitivity, enhanced\nthermal stability, and combustion properties, which present a potential\nprospect in the field of energetic materials. The new method effectively\novercomes the high-energy barrier of nonporous organic explosives,\noffering the advantages of simplicity, safety, efficiency, and environmental\nfriendliness. This study provides a valuable pathway for constructing\nadvanced supramolecular energetic materials, which contributes to\nthe enrichment of supramolecular engineering systems.