Energetic N-Nitramino/N-Oxyl-Functionalized Pyrazoles with Versatile pi-pi Stacking: Structure-Property Relationships of High-Performance Energetic Materials

摘要

N-Nitramino/N-oxyl functionalization strategies were employed to investigate structure-property relationships of energetic materials. Based on single-crystal diffraction data, pi-pi stacking of pyrazole backbones can be tailored effectively by energetic functionalities, thereby resulting in diversified energetic compounds. Among them, hydroxylammonium 4-amino-3,5-dinitro-1H-pyrazol-1-olate and dipotassium N, N'-(3,5-dinitro-1H-pyrazol-1,4-diyl)dinitramidate, with unique face-to-face pi-pi stacking, can be potentially used as a high-performance explosive and an energetic oxidizer, respectively.