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首页 > 过刊浏览>2015年第23卷第4期 >405-408. DOI:10.11943/j.issn.1006-9941.2015.04.016
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6b-硝基-1,3,5-三氧环戊烷[cd]-并环戊二烯-2,4,6-三硝酸酯的合成与晶体结构（英）
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作者单位:

(西安近代化学研究所, 陕西 西安 710065)

作者简介:

WANG Bo-zhou(1967-),researcher, mainly engaged in synthesis and property research of energetic materials. e-mail: wbz600@163.com

通讯作者:

LI Xiang-zhi(1988-),male, assistant engineer, mainly engaged in synthesis and property research of energetic materials. e-mail: 2006294032@163.com Corresponding Author: WANG Bo-zhou(1967-),researcher, mainly engaged in synthesis and property research of energetic materials. e-mail: wbz600@163.com

基金项目:

Natural Science Foundation of China (21243007) Biography: LI Xiang-zhi(1988-),male, assistant engineer, mainly engaged in synthesis and property research of energetic materials. e-mail: 2006294032@163.com


Synthesis and Crystal Structure of 6b-Nitrohexahydro-2H-1,3,5-trioxacyclopenta-pentalene-2,4,6-triyl trinitrate
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(Xi′an Modern Chemistry Research Institute, Xi′an 710065, China)

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    摘要:

    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)Å, b=8.534(9)Å, c=19.41(2) Å, β=117.624(4)°, Mr=370.16, V=1305(2) Å3, Z=4, Dc=1.884 g·cm-3, λ=0.71073 Å, F(000)=752, μ =0.189 mm-1, S=1.097, 最终偏差因子R1=0.0488, wR2=0.1289。

    Abstract:

    An energetic plasticizer 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-tryl trinitrate(2) was synthesized from glyoxal and nitromethane via the condensation and nitration reactions with a total yield of 40.90%, and its structure was characterized by elemental analysis, IR, NMR.The single crystal of compound 2 was obtained firstly.It was found that its crystal belongs to the monoclinic system, and its space group is P21/n with a=7.792(9)Å, b=8.534(9)Å, c=19.41(2) Å, β=117.624(4)°, Mr=370.16, V=1305(2) Å3, Z=4, Dc=1.884 g·cm-3, λ=0.71073 Å, F(000)=752, μ=0.189 mm-1, S=1.097, the final R1=0.0488, and wR2=0.1289.

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李祥志,李亚南,周诚,等.6b-硝基-1,3,5-三氧环戊烷[cd]-并环戊二烯-2,4,6-三硝酸酯的合成与晶体结构（英）[J].含能材料, 2015, 23(4):405-408. DOI:10.11943/j. issn.1006-9941.2015.04.016.
LI Xiang-zhi, LI Ya-nan, ZHOU Cheng, et al. Synthesis and Crystal Structure of 6b-Nitrohexahydro-2H-1,3,5-trioxacyclopenta-pentalene-2,4,6-triyl trinitrate[J]. Chinese Journal of Energetic Materials, 2015, 23(4):405-408. DOI:10.11943/j. issn.1006-9941.2015.04.016.

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历史
  • 收稿日期: 2014-05-08
  • 最后修改日期: 2014-06-20
  • 录用日期: 2014-09-06
  • 在线发布日期: 2015-03-31
  • 出版日期: 2015-03-31

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