engleski

Contributions to the Chemistry of N-Methylnitramine: Crystal Structure, Synthesis of Nitrogen-Rich Salts, and Reactions towards 2-Nitro-2-azapropyl Derivatives

This work compares the hitherto unknown crystal structure of N-methylnitramine with its gas-phase diffraction structure. A series of alkaline, alkaline earth and some transitionmetal salts were investigated. Furthermore, a series of new nitrogen-rich salts was synthesized and characterized for the first time. The Mannich reaction of N-methylnitramine with formaldehyde yields 2-nitro-2-azapropanol, which was treated with 2-nitro-2-azapropyl isocyanate to furnish new bis-N, O-(2-nitro-2-azapropyl)carbamate. The analogue bis-N, N_-(2-nitro-2-azapropyl)urea derivative is formed when 2-nitro-2-azapropyl isocyanate is treated with water. Owing to the energetic nature of all compounds, their energetic properties were determined. The sensitivities towards impact, friction and electrostatic discharge were determined using the BAM drophammer and friction tester as well as a smallscale electrical discharge device. Standard enthalpies of formation were calculated at the CBS-4M level of theory. With these values and the experimental densities, several detonation parameters such as detonation pressure and velocity of the compounds were computed using the EXPLO5 (V6.01) computer code and compared to currently used explosives

Energetic materials ; Nitrogen ; Nitramines ; Transition metals ; Structure elucidation

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