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High Pressure Single Crystal Diffraction at PX^2
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压力诱导的合作键重组在一个伊米达索酸框架:一个高压单晶X射线衍射研究
Elinor C Spencer1, Ross J Angel, Nancy L Ross
1Department of Geosciences, Virginia Tech University, Blacksburg, Virginia 24061, USA. espence@vt.edu
Journal of the American Chemical Society
|March 4, 2009
概括
这项研究揭示了-伊米达酸框架 (ZnIm) 在压力下如何改变结构. 一个新的阶段在0.543 GPa以上出现,由合作社债券重组驱动.
科学领域:
- 材料科学 材料科学 材料科学
- 晶体学 晶体学是指结晶学.
- 化学 化学 化学
背景情况:
- 金属有机框架 (MOF) 是具有可调节性质的多孔材料.
- 了解MOF对压力等外部刺激的结构反应对于其应用至关重要.
- 胺酸框架 (ZnIm) 是一类具有气体储存和催化潜力的MOF.
研究的目的:
- 为了研究中性-伊米达酸框架的压力诱导的结构演变[Zn{2}{C}{3}{H}{3}{N}{2}{4}{n}{n}{Zn}{Im}{n}{n}{n}{n}.
- 描述相变的特征,并确定底层机制.
- 为提供MOF的第一个高压单晶X射线衍射分析.
主要方法:
- 使用高压单晶X射线衍射来研究ZnIm.
- 为了观察结构变化,在各种压力下收集了结晶学数据.
- 确定了相位过渡压力和空间组.
- 估计了散装模量.
主要成果:
- 合成的α相ZnIm结晶在四面体空间组I4中.
- 阶段过渡到一个新的β阶段发生在0.543(5) 和0.847(5) GPa之间.
- 贝塔阶段保留了四角形晶体系统,但采用了空间组I4(1).
- 过渡涉及复杂的合作债券重组.
- 在室温下,ZnIm的散体模量约为14 GPa.
结论:
- ZnIm 经历了压力诱导的相变.
- 过渡机制涉及复杂的债券重新安排.
- 这项工作证明了高压单晶X射线衍射对于研究MOF行为的实用性.
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