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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

Journal PCCP: Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084
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 Khudozhitkov Alexander E. 1 , Arzumanov Sergei S. 1 , Toktarev Alexander V. 1 , Cherepanova Svetlana V. 1 , Gabrienko Anton A. 1 , Kolokolov Daniil I. 1 , Stepanov Alexander G. 1
Affiliations
1 Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences Prospekt Akademika Lavrentieva 5, Novosibirsk 630090, Russia

Funding (2)

1 Russian Foundation for Basic Research 18-29-04009
2 Ministry of Science and Higher Education of the Russian Federation 0239-2021-0003

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 ANCAN PMID OpenAlex
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
Chemical Abstracts: 2021:1755106
Chemical Abstracts (print): 176:352051
PMID: 34612431
OpenAlex: W3187447680
Citing:
DB Citing
Web of science 12
Scopus 12
Elibrary 10
OpenAlex 12
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