(616e) The Characterization of a TNT/Aniline Co-Crystal Solvate: Physicochemical, Explosive Properties and Kinetics of Stability

In the development of crystal engineering and supramolecular chemistry, co-crystallization has been used to develop the novel explosives with desired properties. Herein we present the 1:1 molecular ratio of 2, 4, 6-trinitrotoluene(TNT)/aniline novel co-crystals solvates which has unique physicochemical and explosive properties. The characterization of the crystallographic and physical properties of TNT/aniline co-crystals solvates, compared to TNT, was conducted with X-ray diffractograms, infrared spectra, and thermal analysis. The change in explosive properties of co-crystal solvate was theoretically determined, and the value of detonation parameters indicated that sensitivity of TNT increased in a large extent (drop height > 300cm), without a significant decrease in explosive velocity of detonation (DTNT = 6.93 km/s, Dco-crystal (CHEETAH) = 6.5 km/s). The ruby-color of TNT/aniline co-crystals solvates, which is typically shown in Meisenheimer complexes, gradually changes to yellow-color (which is the characteristics of pure TNT) in the open environment due to the desolvation of aniline. The activation energy (22.1 kJ/mol) of the desolvation process was directly obtained by atomic force microscopy (AFM) analysis.