硝基亚氨基四唑和氧硝基亚氨基四唑。

Nitroimino-tetrazolates and oxy-nitroimino-tetrazolates.

机构信息

Department of Chemistry, University of Idaho, Moscow, Idaho 83844-2343, United States.

出版信息

J Am Chem Soc. 2010 Oct 27;132(42):15081-90. doi: 10.1021/ja107729c.

PMID:20925341

Abstract

Highly energetic 1,1'-ethylenebis(oxy)bis(5-nitroimino-tetrazolate) salts were obtained by reacting equimolar quantities of the acidic 1,1'-ethylenebis(oxy)bis(5-nitroimino-tetrazole) and energetic bases in aqueous solution. Additionally, metathesis of silver 1,1'-ethylenebis(oxy)bis(5-nitroimino-tetrazolate) with diaminoguanidinium chloride or triaminoguanidinium chloride gave the corresponding oxy-nitroimino-tetrazolate salt. These salts were fully characterized using IR and multinuclear NMR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC), and, in some cases, 2·2H(2)O, 8·2H(2)O, 10, 13·2H(2)O and 14, with single crystal X-ray structuring. The heats of formation for all compounds were calculated with Gaussian 03 and then combined with measured densities to determine detonation pressures (P) and velocities (D) of the energetic materials (Cheetah 5.0). The impact sensitivities of all salts were found to be less than those of the parent compounds. The physical and detonation properties of these oxy-nitroimino-tetrazolate salts are comparable to the analogous newly prepared diaminoguanidinium and triaminoguanidinium 1,1'-ethylenebis(5-nitroimino-tetrazolate)s.

摘要

通过在水溶液中使等摩尔量的酸性 1,1'-亚乙基双（氧）双（5-硝基亚氨基四唑）和高能碱基反应，得到高能量的 1,1'-亚乙基双（氧）双（5-硝基亚氨基四唑）盐。此外，用银 1,1'-亚乙基双（氧）双（5-硝基亚氨基四唑）与二氨基胍盐酸盐或三氨基胍盐酸盐进行复分解反应，得到相应的氧-硝基亚氨基四唑盐。这些盐使用 IR 和多核 NMR 光谱、元素分析和差示扫描量热法（DSC）进行了充分表征，在某些情况下还进行了 2·2H2O、8·2H2O、10、13·2H2O 和 14 的单晶 X 射线结构分析。使用 Gaussian 03 计算了所有化合物的生成热，然后将其与测量的密度结合起来，以确定高能材料（猎豹 5.0）的爆轰压力（P）和速度（D）。所有盐的撞击感度均低于母体化合物。这些氧-硝基亚氨基四唑盐的物理和爆轰性能与新制备的类似的二氨基胍盐酸盐和三氨基胍盐酸盐 1,1'-亚乙基双（5-硝基亚氨基四唑）相当。