五硝单甲酯六氮杂异伍兹烷的合成、单晶结构与表征。
Synthesis, single crystal structure and characterization of pentanitromonoformylhexaazaisowurtzitane.
机构信息
School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China.
出版信息
J Hazard Mater. 2010 Mar 15;175(1-3):569-74. doi: 10.1016/j.jhazmat.2009.10.043. Epub 2009 Oct 20.
Pentanitromonoformylhexaazaisowurtzitane (PNMFIW) was synthesized by the nitrolysis of tetraacetyldiformylhexaazaisowurtzitane (TADFIW) in mixed nitric and sulfuric acids and structurally characterized by element analysis, FT-IR, MS and (1)H NMR. Single crystals of PNMFIW were grown from aqueous solution employing the technique of controlled evaporation. PNMFIW belongs to the orthorhombic system having four molecules in the unit cell, with space group P2(1)2(1)2(1) and the lattice parameters a=8.8000(18)A, b=12.534(2)A, and c=12.829(3)A. The calculated density reaches 1.977 g/cm(3) at 93 K, while the experimental density is 1.946 g/cm(3) at 20 degrees C. The calculated detonation velocity and pressure of PNMFIW according to the experimental density are 9195.76 m/s and 39.68G Pa, respectively. PNMFIW is insensitive compared with epsilon-HNIW through drop hammer impact sensitivity test.
五硝六氮合钴（PNMFIW）是由四乙酰六脒六氮杂异伍兹烷（TADFIW）在混酸中硝化得到的，并用元素分析、FT-IR、MS 和（1）H NMR 对其结构进行了表征。PNMFIW 采用控制蒸发技术从水溶液中生长出单晶。PNMFIW 属于正交晶系，在晶胞中有四个分子，空间群为 P2(1)2(1)2(1)，晶格参数为 a=8.8000(18)A, b=12.534(2)A, 和 c=12.829(3)A。在 93 K 时，计算密度达到 1.977 g/cm(3)，而在 20°C 时实验密度为 1.946 g/cm(3)。根据实验密度计算得到 PNMFIW 的爆速和爆压分别为 9195.76 m/s 和 39.68G Pa。通过落锤撞击感度试验，与 ε-HNIW 相比，PNMFIW 的感度较低。
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