title: Energetic salts with π-stacking and hydrogen-bonding interactions lead the way to future energetic materials.
abstract: Among energetic materials, there are two significant challenges facing researchers: 1) to develop ionic CHNO explosives with higher densities than their parent nonionic molecules and (2) to achieve a fine balance between high detonation performance and low sensitivity. We report a surprising energetic salt, hydroxylammonium 3-dinitromethanide-1,2,4-triazolone, that exhibits exceptional properties, viz., higher density, superior detonation performance, and improved thermal, impact, and friction stabilities, then those of its precursor, 3-dinitromethyl-1,2,4-triazolone. The solid-state structure features of the new energetic salt were investigated with X-ray diffraction which showed π-stacking and hydrogen-bonding interactions that contribute to closer packing and higher density. According to the experimental results and theoretical analysis, the newly designed energetic salt also gives rise to a workable compromise in high detonation properties and desirable stabilities. These findings will enhance the future prospects for rational energetic materials design and commence a new chapter in this field.
authors.affiliation: Department of Chemistry, University of Idaho , Moscow, Idaho 83844-2343, United States.
authors.forename: Jiaheng
authors.initials: J
authors.lastname: Zhang
authors.forename: Qinghua
authors.initials: Q
authors.lastname: Zhang
authors.forename: Thao T
authors.initials: TT
authors.lastname: Vo
authors.forename: Damon A
authors.initials: DA
authors.lastname: Parrish
authors.forename: Jean'ne M
authors.initials: JM
authors.lastname: Shreeve