A desirable coplanar energetic pentazolate salt driven by hydrogen bonds

Abstract

A coplanar energetic salt (3) was designed and synthesized by protonation and hydrogen bonding assembly. X-ray single crystal diffraction data and theoretical calculations indicate that the incorporation of protons and robust hydrogen bonding is crucial to the planarization of the twisted molecule (1). The planarized energetic salt 3 with layer-by-layer stacking is more insensitive compared to its analogue compound 1.