1,1-二氨基-2,2-二硝基乙烯的晶型研究
The Polymorphy of 1,1-Diamino-2,2-Dinitroethylene
作者：付秋菠(四川大学 化工学院 ,四川 成都 610065)；舒远杰(中国工程物理研究院 化工材料研究所，绵阳 621900)；黄奕刚(中国工程物理研究院 化工材料研究所，绵阳 621900)
Author：(School of Chem. Eng., Sichuan Univ., Chengdu 610065, China)；(Inst. of Chem. Materials，China Academy of Eng. Phy.，Mianyang 621900, China)；(Inst. of Chem. Materials，China Academy of Eng. Phy.，Mianyang 621900, China)
收稿日期：2006-01-20 年卷（期）页码：2007,39(3):67-71
期刊名称：工程科学与技术
Journal Name：Advanced Engineering Sciences
关键字：1,1-二氨基-2,2-二硝基乙烯；晶体结构；相变
Key words：1,1-diamino-2,2-dinitroethylene; crystal structure; phase transition
基金项目：中国工程物理研究院基金资助项目（20050539）
中文摘要
采用四圆衍射仪对培养的1,1-二氨基-2,2-二硝基乙烯（简称FOX-7）单晶进行测试，结构解析结果：晶体属单斜晶系，空间群P21/n，a=0.69283 nm，b=0.66201 nm，c=1.13230 nm，α＝89.948°，β＝90.533°，γ＝89.894°，V＝0.5193 nm3，Dx=1.893g·cm-3，Z＝4，F(000)=304。FOX-7分子呈层状构型，分子内存在大量的氢键，分子间依靠范德华力结合。利用变温X射线衍射仪得到了FOX-7在加热时的相变，结果发现了两个相变温度点，获得了α、β、γ三相的衍射图，并且确定了α和β相的晶胞参数。此外当温度降低时，γ相可以不经过β相直接转变成α相，只是需要的时间较长。
英文摘要
The single crystal of 1,1-diamino-2,2-dinitroethylene was measured by the tetracyclic diffractometer. The crystal has monoclinic P21/n symmetry with a=0.69283 nm，b=0.66201 nm，c=1.13230 nm，α＝89.948°，β＝90.533°，γ＝89.894°，V＝0.5193 nm3，Dx=1.893 g·cm-3，Z＝4，F(000)=304. The results indicated that the molecular arrangement inside the crystal is two dimensional wave shaped layers, with extensive intermolecular hydrogen bonding within the layers and with simple van der Waals interaction between the layers. The phase transitions of FOX-7 was tested by temperature controlled X-ray power diffraction (XRD) when FOX-7 had been heated. It was found that there are two temperature dependent phase transitions, and the XRD patterns of α-phase,β-phase,γ-phase were obtained. When the temperature decreases, α-phase can directly change to β-phase.
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