A Study of Cyanotetrazole Oxides and Derivatives thereof
A Study of Cyanotetrazole Oxides and Derivatives thereof
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DOI：
10.1002/asia.201200903
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发表时间：
2013-01-01
影响因子：
4.1
通讯作者：
Stierstorfer, Joerg
中科院分区：
文献类型：
--
作者：
Boneberg, Franziska;Kirchner, Angie;Stierstorfer, Joerg
本文报道了氰基四氮酸盐-1-和-2-氧化物的合成；这提供了一个独特的能力来比较四氮唑1和2氧化的影响。5-氰四氮酸盐-2-氧化物可由5-氰四氮酸盐阴离子与氧酮氧化合成，而相应的1-氧化物则由叠氮胺脲氮重排合成。化学（多核核磁共振，红外和拉曼光谱，质谱等）以及爆炸（冲击，摩擦和静态灵敏度）性质都报道了这些高能盐。本文还报道了利用EXPLO5计算机代码计算爆炸性能的方法。我们进一步详细介绍了这两种阴离子的化学性质，以及它们形成四唑-羧酰胺、二氢四氮和四氮的能力。两个铜配合物证明了氰基四唑氧化物水解成酰胺的能力。除了完整的化学表征外，还介绍了这些物种的几种晶体结构。最后，独特的1,4，-双（2- n -氧化四氮酸盐）-1,2,4,5-四氮阴离子被表征为含能材料作为其铵盐。
In this work we report on the syntheses of energetic salts of cyanotetrazolate-1- and -2-oxides; this offers a unique ability to compare the effects of tetrazole 1-versus 2-oxidation. 5-Cyanotetrazolate-2-oxide can be synthesized by oxidation of the 5-cyanotetrazolate anion with Oxone, while the corresponding 1-oxide was synthesized by the rearrangement of azidoaminofurazan. Both chemical (multinuclear NMR, IR, and Raman spectroscopies, mass spectrometry, etc.) as well as explosive (impact, friction, and static sensitivities) properties are reported for these energetic salts. Calculated explosive performances using the EXPLO5 computer code are also reported. We furthermore detail the chemistry of these two anions, and their ability to form tetrazole-carboxamides, dihydro-tetrazines, and tetrazines. The ability to hydrolyze cyanotetrazole oxides to their amides was demonstrated by two copper complexes. Several crystal structures of these species are presented in addition to full chemical characterization. Finally, the unique 1,4,-bis(2-N-oxidotetrazolate)-1,2,4,5- tetrazine anion was characterized as an energetic material as its ammonium salt.