期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 23, 期 34, 页码 18925-18929出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d1cp03060d
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资金
- Russian Foundation for Basic Research [18-29-04009]
- Ministry of Science and Higher Education of the Russian Federation [AAAA-A21-121011390053-4]
The relationship between water adsorption on MIL-53 (Al) MOF, the structural phase of MIL-53 (Al), and the quadrupole coupling constant of Al-27 framework aluminium atom (QCC) was investigated using solid-state Al-27 MAS NMR spectroscopy, XRD analysis, and DFT calculations. It was found that Al-27 QCC is primarily sensitive to water adsorption on the Al-sites and to a lesser extent to the framework contraction/expansion interconversions. The study concludes that Al-27 MAS NMR method is sensitive enough to differentiate the effects of pore contractions and water adsorption on Al-sites based on changes in the QCC value.
The relationship between the adsorption of water on MIL-53 (Al) MOF, the structural phase of MIL-53 (Al), and the quadrupole coupling constant of Al-27 framework aluminium atom (QCC) of the MOF AlO4(OH)(2) centres (Al-sites) has been investigated by combining solid-state Al-27 MAS NMR spectroscopy with XRD analysis and DFT calculations. It is established that Al-27 QCC is primarily sensitive to water adsorption to the Al-sites and by a minor extent to the framework contraction/expansion interconversions. We thus conclude that the Al-27 MAS NMR method is sensitive enough to differentiate the effects of pore contractions and water adsorption to Al-sites basing on the changes of the QCC value.
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