Department of Chemistry, Energetic Materials Research, Ludwig Maximilian University, Butenandtstr. 5-13 (D), 81377 München, Germany.
Chemistry. 2012 Mar 26;18(13):4051-62. doi: 10.1002/chem.201103737. Epub 2012 Feb 24.
A large variety of twice-deprotonated nitrogen-rich 5,5'-bistetrazolates, that is, the ammonium (1), hydrazinium (2), hydroxylammonium (3), guanidinium (4), aminoguanidinium (5), diaminoguanidinium (6), triaminoguanidinium (7), and diaminouronium (8) salts, have been synthesized. Energetic compounds 1-8 were fully characterized by single-crystal X-ray diffraction (except 8), NMR spectroscopy, IR and Raman spectroscopy, and differential scanning calorimetry (DSC) measurements. With respect to their potential use in propellant applications, the sensitivity towards impact, friction, and electrical discharge were determined. Several propulsion and detonation parameters (e.g., heat of explosion, detonation velocity) were computed by using the EXPLO5 computer code based on calculated (CBS-4M) heats of formation and X-ray densities. Additionally, the performance of 1-8 in various formulations was investigated by calculating the specific energy and specific impulse of the compounds under isochoric conditions.
已合成了大量的两种去质子化的富氮 5,5'-双四唑盐，即铵盐（1）、肼盐（2）、羟胺盐（3）、胍盐（4）、氨基胍盐（5）、二氨基胍盐（6）、三氨基胍盐（7）和二氨基脲盐（8）。化合物 1-8 均通过单晶 X 射线衍射（除 8 以外）、NMR 光谱、IR 和拉曼光谱以及差示扫描量热法（DSC）测量进行了全面表征。考虑到它们在推进剂应用中的潜在用途，测定了它们对撞击、摩擦和电放电的敏感性。使用 EXPLO5 计算机程序，基于计算的（CBS-4M）生成热和 X 射线密度，计算了爆炸热、爆速等几个推进和爆轰参数。此外，通过计算等容条件下化合物的比能量和比冲，研究了 1-8 在各种配方中的性能。
