| Cs(DNDZ)的合成、晶体结构和热行为研究(英文) | |
| Synthesis, Crystal Structure and Thermal Behavior of Cs(DNDZ) | |
| 摘要: 合成了一种新型高能有机铯盐2-(二硝基亚甲基)-1,3-二氮杂环戊烷铯盐[Cs(DNDZ)]，并培养出单晶。该晶体属单斜晶系，空间群P21/c，晶胞参数为：a=0.933 6(2) nm，b=0.677 42(14) nm，c=1.387 4(3) nm，β=101.173(2)°，V=0.860 8(3) nm3，Z=4，μ=4.292 mm-1，F(000)=576，Dc=2.361 g·cm-3，R1=0.029 1，wR2=0.077 8。用非等温DSC，TG/DTG法研究了Cs(DNDZ)的热行为，第一放热分解反应的放热焓、表观活化能和指前因子分别为-1 045 J·g-1, 144.2 kJ·mol-1 和1013.75 s-1。其热爆炸的临界温度为181.48 ℃。 Cs(DNDZ)热稳定性低于DNDZ。 | |
| 关键词: 1，1-二氨基-2，2-二硝基乙烯(FOX-7) 2-(二硝基亚甲基)-1，3-二氮杂环戊烷(DNDZ) 晶体结构 热行为 | |
| 基金项目: | |
| Abstract: A new high-energy organic cesium salt, 2-(dinitromethylene)-1,3-diazacyclopentane cesium salt [Cs(DNDZ)], was synthesized and structurally characterized. The crystal belongs to monoclinic system with space group P21/c and a=0.933 6(2) nm, b=0.677 42(14) nm, c=1.387 4(3) nm, β=101.173(2)°, V=0.860 8(3) nm3, Z=4, μ=4.292 mm-1, F(000)=576, Dc=2.361 g·cm-3, R1=0.029 1, and wR2=0.077 8. Thermal behavior of Cs(DNDZ) was studied under the non-isothermal conditions by DSC and TG/DTG methods. The enthalpy, apparent activation energy and pre-exponential factor of the first exothermic decomposition reaction were -1 045 J·g-1, 144.2 kJ·mol-1 and 1013.75 s-1, respectively. The critical temperature of thermal explosion (Tb) for Cs(DNDZ) is 181.48 ℃. Cs(DNDZ) presents lower thermal stability than DNDZ. CCDC: 824312. | |
| Keywords: 1,1-diamino-2,2-dinitroethylene (FOX-7) 2-(dinitromethylene)-1,3-diazacyclopentane (DNDZ) crystal structure thermal behavior | |
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| 徐抗震,左现刚,张 航,王 敏,宋纪蓉,赵凤起.Cs(DNDZ)的合成、晶体结构和热行为研究(英文)[J].无机化学学报,2011,27(11):2257-2262. | |
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