A wide array of methoxy-substituted-polynitro-aryl-pyrazole/imidazoles with readily oxidizable -NH/NO/NHNO/diazo functional groups is synthesized. Single crystal X-ray diffraction (XRD) analysis confirms the molecular structure of the compounds. Energetic properties of the synthesized compounds are determined by theoretical and experimental studies. Most of the compounds are thermally stable and insensitive to impact and friction. Some of the molecules possess better detonation velocity and detonation pressure over TNT.
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