刚性氧化物框架中的:层叠的结构,结合和爆炸性特性 K4Xe3O12
Sergey N Britvin1, Sergei A Kashtanov2, Sergey V Krivovichev1
1Department of Crystallography, Saint-Petersburg State University , Universitetskaya Nab. 7/9, 199034 St. Petersburg, Russia.
Journal of the American Chemical Society
|October 13, 2016
概括
这项研究介绍了K4Xe3O12,第一个有层的矿,透露了通过气原键的独特结合. 这些弱相互作用解释了该化合物的爆炸性和爆炸敏感性.
科学领域:
- 无机化学
- 材料科学
- 固态化学
背景情况:
- 高价化合物很少见,对它们的结构化学知识有限.
- 矿结构通常由过渡金属形成,使得的参与是独一无二的.
研究的目的:
- 研究一种基于的新型氧化物的结构和结合特性.
- 探索电子结构在的形成基框架的能力中的作用.
- 阐明导致异氧化物爆炸性的因素.
主要方法:
- 氧化 (K4Xe3O12) 的合成和表征.
- 结晶分析以确定层层的矿结构.
- 分析电子结构和结合相互作用的计算研究.
主要成果:
- 发现K4Xe3O12,第一个有层的矿.
- 确定气质键作为稳定结构的关键超分子相互作用.
- 弱气质键与化合物的引爆灵敏度之间的相关性.
结论:
- 可以形成单离子氧化物矿框架,这是非过渡元素中独特的特性.
- 在K4Xe3O12的结构完整性和爆炸性行为中,气体结合起着至关重要的作用.
- 这项研究提供了对基材料潜在应用和危害的见解.
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