期刊
MICROPOROUS AND MESOPOROUS MATERIALS
卷 216, 期 -, 页码 64-74出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.micromeso.2015.02.042
关键词
Flexible MOFs; In situ; Powder X-ray diffraction; NMR; Molecular dynamics
类别
资金
- Deutsche Forschungsgemeinschaft [KA 1698/152, BR 1278/20-2, SE 651/32-2]
- BMBF (German Federal Ministry of Science and Education) [05K100D3, 05K130D3]
- German Chemical Industry Fund
- Cluster SusChemSys
- Alexander von Humboldt Foundation
- European Regional Development Fund (ERDF)
- North RhineWestphalia, Germany, under Operational Programme Regional Competitiveness and Employment
Porosity switching in the crystalline solid state is a unique phenomenon observed only in a limited number of materials. The switching behavior of two metal-organic frameworks as well as their respective solid solutions of composition [Zn-2(BME-bdc)(x)(DB-bdc)(2-x)dabco]n (x = 2; 1.5; 1.0; 0.5; 0) is studied in situ during the adsorption of CO2 and Xe using X-ray diffraction and NMR techniques. The diffraction data, measured during the adsorption suggest a direct one-step phase transition (switching) from the narrow pore phase to the large pore phase beyond the transition pressure. An intermediate phase was found only in one compound within a narrow pressure range around the phase transition pressure region. In situ high-pressure C-13 NMR spectroscopy of adsorbed CO2 also allowed following the gating behavior of the studied materials by monitoring the signal of adsorbed CO2. The C-13 NMR spectra exhibit a pronounced broadening indicating a certain degree of order for the adsorbed molecules inside the pores. This ordering effect and the resulting line broadening depend on the linker functionalization as could be confirmed by corresponding molecular dynamics (MD) simulations. (C) 2015 Elsevier Inc. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据