Two Energetic Framework Materials Based on DNM–TNBI as Host Molecule: Effectively Coordinated by Different Cations

Abstract With the demand of develop outstanding‐performance energetic materials, 1‐(dinitromethyl)‐4,4’,5,5’‐tetranitro‐1H,1’H‐2,2’‐biimidazole ( DNM – TNBI ) emerged as a great contender (D: 9102 m ⋅ s −1 ; P: 37.6 GPa). However, the relatively poor thermal stability (T d : 142 °C) limits its practical application. In this study, DNM – TNBI as a host molecule to synthesize two new energetic open–framework materials by effectively coordinated with different cations. Their supramolecular structures were investigated and indicated that [ DNM – TNBI 2 − ][ 2NH 4 + ] and [ DNM – TNBI 2 − ][ 2K + ] can be classified as a new energetic hydrogen–bonded ammonium framework (EHAF) and an energetic metal organic framework (EMOF). Meanwhile, their thermal stabilities are higher than that of DNM – TNBI and have satisfactory detonation performance ([ DNM – TNBI 2 − ][ 2NH 4 + ], D: 8050 m ⋅ s −1 , P: 26.4 GPa; [ DNM – TNBI 2 − ][ 2K + ], D: 8301 m ⋅ s −1 , P: 30.8 GPa).