| 苦味酸晶体及分子结构的研究 |
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| 引用本文： | 杨利,张同来,冯长根,张建国,郁开北.苦味酸晶体及分子结构的研究[J].含能材料,2001,9(1):37-39. |
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| 作者姓名： | 杨利 张同来 冯长根 张建国 郁开北 |
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| 作者单位： | 1. 北京理工大学机电工程学院,
2. 中科院成都有机所分析测试中心, |
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| 摘 要： | 采用蒸发法制备苦味酸的单晶。用X射线衍射、元素分析、红外光谱对其进行了结构表征。苦味酸晶体属正交晶系 ,Pca2 (1)空间群。晶体参数为 :a =0 .92 6 84(16 )nm ,b =1.913 9(4)nm ,c =0 .9716 (2 )nm ,V =1.72 3 6 (6 )nm3,Z =4,Dc=1.76 6g·cm-3 ,μ =1.6 6cm-1,F(0 0 0 ) =92 8。最终偏离因子R =0 .0 45 4,Rw=0 .0 979。
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| 关 键 词： | 苦味酸 晶体结构 X射线衍射 元素分析 红外光谱 分子结构 |
| 文章编号： | 1006-9941(2001)01-0037-03 |
| 收稿时间： | 2000/9/18 0:00:00 |
| 修稿时间： | 2000年9月18日 |
Study on Crystal and Molecular Structure of Picric Acid |
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| YANG Li,ZHANG Tong-Iai,FENG Chang-gen,ZHANG Jian-guo and YU Kai_bei.Study on Crystal and Molecular Structure of Picric Acid[J].Chinese Journal of Energetic Materials,2001,9(1):37-39. |
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| Authors: | YANG Li ZHANG Tong-Iai FENG Chang-gen ZHANG Jian-guo and YU Kai_bei |
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| Affiliation: | Bezjing In.stitute of Tech,nology, Bezjin,g 100081 , China;;Bezjing In.stitute of Tech,nology, Bezjin,g 100081 , China;;Bezjing In.stitute of Tech,nology, Bezjin,g 100081 , China;;Bezjing In.stitute of Tech,nology, Bezjin,g 100081 , China;;Chen,gdu Bran,ch of the Chine.se Academy of Science, Chengdu 610064, China |
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| Abstract: | The crystal of picric acid is obtained by the method of evaporation. It is characterized by using element analysis and FTIR. The crystal structure of PA is determined by single crystal diffraction analysis. The crystal is orthorhombic. Its space group is Pca2(1) with crystal parameters of a=0.926 84(16) nm，b=1.913 9(4) nm，c=0.971 6(2) nm，V=1.723 6(6) nm3，Z=4，Dc=1.766 g*cm-3，μ=1.66 cm-1，F(000)=928. The final R is 0.045 4，Rw,0.097 9。 |
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| Keywords: | picric acid crystal structure X ray diffraction element analysis FTIR |
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