10.1021/jacs.8b10200.s002 Amanda F. Baxter Amanda F. Baxter Igor Martin Igor Martin Karl O. Christe Karl O. Christe Ralf Haiges Ralf Haiges Formamidinium Nitroformate: An Insensitive RDX Alternative American Chemical Society 2018 single-crystal X-ray analysis CH research department impact sensitivity testing nitrogen-containing cations performance multinuclear NMR Gaussian -4 Raman spectroscopy IR formamidinium salt Formamidinium Nitroformate thermochemical calculations Insensitive RDX detonation theory 2018-10-15 00:00:00 Dataset https://acs.figshare.com/articles/dataset/Formamidinium_Nitroformate_An_Insensitive_RDX_Alternative/7258433 Five nitroformate (trinitromethanide) salts featuring nitrogen-containing cations were prepared. The salts were characterized by multinuclear NMR, IR, and Raman spectroscopy, single-crystal X-ray analysis, differential thermal analysis, and friction and impact sensitivity testing. These experimental data are supplemented with thermochemical calculations using the Gaussian-4 composite method, and the performance of these energetic materials was calculated based on the Chapman–Jouguet thermodynamic detonation theory. Out of the five compounds studied by us, the formamidinium salt, [CH­(NH<sub>2</sub>)<sub>2</sub>]<sup>+</sup>[C­(NO<sub>2</sub>)<sub>3</sub>]<sup>−</sup>, is most interesting. Its performance matches that of RDX (research department explosive, cyclo­trimethylene­trinitramine), while it is much less sensitive to impact and friction and, therefore, might be an excellent, less sensitive replacement for RDX.