Unleashing Ultrahigh Detonation Performance with Oxalyldihydrazinium Dication-Based Energetic Salts

• DOI: 10.1021/acs.cgd.4c00843
• Publication Date: 2024-11-16T14:02:56Z
• Authors: Alexandros A. Kitos; Darren Herweyer; Niki Mavragani; Stéphanie Delisle; Benoit Jolicoeur; Muralee Murugesu; Jaclyn L. Brusso
• Keywords: Dication

A new series of high energy density materials were synthesized by combining the oxalyldihydrazinium (H2ODH2+) dication with 5,5′-tetranitro-2,2′-bi-1H-imidazolate (TNBI2–), 5,5′-diamino-4,4′-dinitramino-3,3′-bi-1,2,4-triazolate (ANAT2–) and bis[3-(5-nitroimino-1,2,4-triazolate)] (BNT2–) dianions. These fully characterized nuclear magnetic resonance (1H 13C) infrared spectroscopy, gas pycnometry, thermogravimetric analysis differential scanning calorimetry. In addition, crystal structures energetic salts [H2ODH][TNBI] [H2ODH][ANAT] determined single-crystal X-ray diffraction. Thermal revealed decomposition temperatures 183 °C for [H2ODH][ANAT], 200 209 [H2ODH][BNT], while densities these to be 1.82, 1.91, 1.94 g cm–3, respectively. The structural features π-stacking hydrogen-bonding interactions, which contribute close packing associated densities. All exhibited detonation properties (detonation pressure: 39.2–43.7 GPa; velocity: 9246–9783 m s–1), are superior or similar those benchmark explosives such as 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).