Synthesis and characterization of new energetic nitroformate salts

New energetic nitroformate salts that contain high-nitrogen cations were synthesized by taking advantage of the relatively high acidity of nitroform. All of the new salts have been characterized by elemental, spectral, and thermal analyses. Single-crystal X-ray analysis of 2 shows that it is a co-crystal of a neutral 4-amino-1,2,4-triazole molecule with the 4-amino-1,2,4-triazolium nitroformate ion pair. The presence of the neutral molecule appears to lend stability to the salt. The structure of 3,6-diguanidino-1,2,4,5-tetrazinium nitroformate (10) was also confirmed by single-crystal X-ray analysis. Theoretical performance calculations indicate that these materials have properties which compare favorably with hydrazinium nitroformate, TNT and Tetryl suggesting potential applications as eco-friendly oxidizers. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007).