Department of Chemistry, Energetic Materials Research, Ludwig-Maximilian University of Munich, Butenandstr. 5-13, D-81377 Munich, Germany.
J Am Chem Soc. 2012 Dec 26;134(51):20827-36. doi: 10.1021/ja310384y. Epub 2012 Dec 13.
This unique study reports on the 1,3-bis(nitroimido)-1,2,3-triazolate anion. This compound provides unique insight into both academic and practical considerations surrounding high-nitrogen systems. The bonding in this energetic anion can be represented multiple ways, one of which includes a chain of alternating positive/negative charges nine atoms long. The validity of this resonance structure is discussed in terms of experimental, computational, and valence bond results. The prepared materials based on this energetic anion were also characterized chemically (infrared, Raman, NMR, X-ray) and as high explosives in terms of their energetic performances (detonation velocity, pressure, etc.) and sensitivities (impact, friction, electrostatic), and the 1,3-bis(nitroimido)-1,2,3-triazolate anion is found to be very high performing with high thermal stabilities while being quite sensitive to mechanical stimuli.
这项独特的研究报告了 1,3-双（硝基亚氨基）-1,2,3-三唑阴离子。该化合物为围绕高氮系统的学术和实际考虑因素提供了独特的见解。这种高能阴离子的键合可以用多种方式表示，其中一种包括一条由九个原子组成的交替正/负电荷链。这种共振结构的有效性是根据实验、计算和价键结果来讨论的。还对基于这种高能阴离子的材料进行了化学特性（红外、拉曼、NMR、X 射线）以及作为高能炸药的特性（爆速、压力等）和敏感度（冲击、摩擦、静电）的表征，发现 1,3-双（硝基亚氨基）-1,2,3-三唑阴离子具有很高的性能，热稳定性很高，而对机械刺激却相当敏感。
