Bartonek Andreas, Klapötke Thomas M, Krumm Burkhard
Energetic Materials Research, Department of Chemistry, Ludwig-Maximilian University Munich, Butenandtstr. 5-13 (D), 81377 Munich, Germany.
Inorg Chem. 2024 Oct 28;63(43):20870-20877. doi: 10.1021/acs.inorgchem.4c03665. Epub 2024 Oct 19.
Several salts of cubane-1,4-dimethylnitrocarbamate (CMNC) were synthesized. The divalent CMNC is deprotonated by alkaline, alkaline earth metal, and nonmetal bases to form the corresponding salts. The compounds were characterized and analyzed by multinuclear NMR and IR spectroscopy, mass spectrometry, elemental analysis, single crystal X-ray, and thermoanalytical techniques. The energies of formation for the salts were calculated using Gaussian. Detonation performances were calculated with the Explo5 (V6.03) computer code. The sensitivities toward impact and friction were determined and compared to the neutral CMNC.
合成了立方烷-1,4-二甲基硝基氨基甲酸酯（CMNC）的几种盐。二价CMNC被碱、碱土金属和非金属碱去质子化以形成相应的盐。通过多核NMR和IR光谱、质谱、元素分析、单晶X射线和热分析技术对这些化合物进行了表征和分析。使用高斯计算盐的生成能。用Explo5（V6.03）计算机代码计算爆轰性能。测定了对冲击和摩擦的敏感度，并与中性CMNC进行了比较。
