Dissecting the Effects of Water Guest Adsorption and Framework Breathing on the AlO4(OH)2 Centres of Metal–Organic Framework MIL-53 (Al) by Solid State NMR and Structural Analysis Full article
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PCCP: Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084 |
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| Output data | Year: 2021, Volume: 23, Number: 34, Pages: 18925-18929 Pages count : 5 DOI: 10.1039/d1cp03060d | ||
| Tags | XYLENE ISOMERS; DYNAMICS; RATIONALE; LINKER; CO2 | ||
| Authors |
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| Affiliations |
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Funding (2)
| 1 | Ministry of Science and Higher Education of the Russian Federation | 0239-2021-0003 |
| 2 | Russian Foundation for Basic Research | 18-29-04009 |
Abstract:
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 27Al framework aluminium atom (QCC) of the MOF AlO4(OH)2 centres (Al-sites) has been investigated by combining solid-state 27Al MAS NMR spectroscopy with XRD analysis and DFT calculations. It is established that 27Al 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 27Al 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.
Cite:
Khudozhitkov A.E.
, Arzumanov S.S.
, Toktarev A.V.
, Cherepanova S.V.
, Gabrienko A.A.
, Kolokolov D.I.
, Stepanov A.G.
Dissecting the Effects of Water Guest Adsorption and Framework Breathing on the AlO4(OH)2 Centres of Metal–Organic Framework MIL-53 (Al) by Solid State NMR and Structural Analysis
PCCP: Physical Chemistry Chemical Physics. 2021. V.23. N34. P.18925-18929. DOI: 10.1039/d1cp03060d WOS Scopus РИНЦ OpenAlex ANCAN PMID
Dissecting the Effects of Water Guest Adsorption and Framework Breathing on the AlO4(OH)2 Centres of Metal–Organic Framework MIL-53 (Al) by Solid State NMR and Structural Analysis
PCCP: Physical Chemistry Chemical Physics. 2021. V.23. N34. P.18925-18929. DOI: 10.1039/d1cp03060d WOS Scopus РИНЦ OpenAlex ANCAN PMID
Dates:
| Submitted: | Jul 5, 2021 |
| Accepted: | Aug 10, 2021 |
| Published online: | Aug 11, 2021 |
| Published print: | Sep 14, 2021 |
Identifiers:
| ≡ Web of science: | WOS:000687345500001 |
| ≡ Scopus: | 2-s2.0-85114352078 |
| ≡ Elibrary: | 47018441 |
| ≡ OpenAlex: | W3187447680 |
| ≡ Chemical Abstracts: | 2021:1755106 |
| ≡ Chemical Abstracts (print): | 176:352051 |
| ≡ PMID: | 34612431 |