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含能材料  2015 

6b-硝基-1,3,5-三氧环戊烷-并环戊二烯-2,4,6-三硝酸酯的合成与晶体结构

DOI: 10.11943/j.issn.1006-9941.2015.04.016

Keywords: 6b-硝基-1,3,5-三氧环戊烷-并环戊二烯-2,4,6-三硝酸酯 合成 晶体结构

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Abstract:

以乙二醛(40%)和硝基甲烷为原料, 通过缩合、硝化两步反应生成了新型硝酸酯类含能增塑剂6b-硝基-1, 3, 5-三氧环戊烷[cd]-并环戊二烯-2, 4, 6-三硝酸酯(2), 总收率为40.90%, 并采用红外光谱、核磁共振光谱和元素分析对其进行了表征。首次培养并获得了化合物2的晶体结构, 晶体结构分析表明, 该化合物属于单斜晶系, 晶体空间群为P21/n; 晶胞参数为:a=7.792(9)?, b=8.534(9)?, c=19.41(2) ?, β=117.624(4)°, Mr=370.16, V=1305(2) ?3, Z=4, Dc=1.884 g·cm-3, λ=0.71073 ?, F(000)=752, μ =0.189 mm-1, S=1.097, 最终偏差因子R1=0.0488, wR2=0.1289

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