Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction
Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction
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DOI：
10.1021/ja106892a
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发表时间：
2010-12-08
影响因子：
15
通讯作者：
Stierstorfer, Joerg
中科院分区：
文献类型：
--
作者：
Goebel, Michael;Karaghiosoff, Konstantin;Stierstorfer, Joerg
第一个阴离子四唑-2N-氧化物已被制备通过温和的水氧化5-硝基四唑与市售过硫酸氢钾在高收率。5-硝基四唑-2N-氧化物的质子化产物经鉴定为羟基四唑，并制备了铵盐、羟胺、胍盐、氨基胍盐、二氨基胍盐和三氨基胍盐等富氮盐。当与硝基四唑的富氮盐相比时，硝基四唑-2N-氧化物的富氮盐显示出上级的能量性能，如通过EXPLO 5计算机代码计算的，使用使用量子力学理论的CBS-4 M水平计算的生成热。测量了富氮硝基四唑-2N-氧化物的冲击、摩擦和电火花感度，涵盖了从敏感到不敏感的含能材料的整个范围。
The first anionic tetrazole-2N-oxide has been prepared by mild aqueous oxidation of easily prepared 5-nitrotetrazole with commercially available oxone in high yields. The result of protonating 5-nitrotetrazolate-2N-oxide has been identified as a hydroxytetrazole, and the nitrogen-rich salts including ammonium, hydroxylammonium, guanidinium, aminoguanidinum, diaminoguanidinium, and triaminoguanidinium have been prepared and characterized. When compared to the nitrogen-rich salts of nitrotetrazole, the nitrogen-rich salts of nitrotetrazole-2N-oxide show superior energetic performance as calculated by the EXPLO5 computer code, using heats of formation calculated using the CBS-4M level of quantum mechanical theory. The impact, friction, and electrical spark sensitivities of the nitrogen-rich nitrotetrazolate-2N-oxides were measured and cover the whole range from sensitive to insensitive energetic materials.