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Mobility of Aromatic Guests and Isobutane in ZIF-8 Metal-Organic Framework Studied by 2H Solid State NMR Spectroscopy Full article

Journal The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455
Output data Year: 2019, Volume: 123, Number: 22, Pages: 13765-13774 Pages count : 10 DOI: 10.1021/acs.jpcc.9b03081
Tags Zeolitic Imidazolate Frameworks; Deuterium NMR; Separation; Adsorption; CO2; Diffusion; Mixtures; Dynamics; Temperature; Adsorbents
Authors Khudozhitkov Alexander E. 1,2 , Arzumanov Sergei S. 1,2 , Kolokolov Daniil I. 1,2 , Stepanov Alexander G. 1,2
Affiliations
1 Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk, 630090, Russian Federation
2 Novosibirsk State University, Pirogova Street 2, Novosibirsk, 630090, Russian Federation

Funding (3)

1 Russian Science Foundation 17-73-10135
2 Federal Agency for Scientific Organizations 0303-2016-0003
3 Russian Foundation for Basic Research 18-29-04009

Abstract: Metal-organic framework ZIF-8 is renowned for its adsorption and separation properties influenced by the framework flexibility. Although much effort was put into understanding the molecular mechanism of such gate-opening (dynamical and static), the mobility of large guest themselves remained unclear. In this work, we present a detailed 2H solid-state NMR investigation of large guests (xylene isomers, benzene, toluene, and isobutane) confined inside the ZIF-8. Evolution of line shape and T1, T2 relaxation times with temperature were interpreted in terms of existence of three different motional states for diffusing guest molecules: (i) the highly mobile guest molecules located in the central part of the cage; (ii) the bound state for a guest located on the cage wall or near the window; and (iii) the guest squeezing through the window with a subsequent release to the next cage. We report detailed quantitative analysis of molecular dynamics in each of the states and the kinetics of exchange between the bound and mobile states. © 2019 American Chemical Society.
Cite: Khudozhitkov A.E. , Arzumanov S.S. , Kolokolov D.I. , Stepanov A.G.
Mobility of Aromatic Guests and Isobutane in ZIF-8 Metal-Organic Framework Studied by 2H Solid State NMR Spectroscopy
The Journal of Physical Chemistry C. 2019. V.123. N22. P.13765-13774. DOI: 10.1021/acs.jpcc.9b03081 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
Submitted: Apr 2, 2019
Accepted: May 6, 2019
Published online: May 15, 2019
Published print: Jun 6, 2019
Identifiers:
Web of science: WOS:000470938400046
Scopus: 2-s2.0-85067125793
Elibrary: 41631897
Chemical Abstracts: 2019:947655
Chemical Abstracts (print): 171:19069
OpenAlex: W2945767326
Citing:
DB Citing
Scopus 24
Web of science 23
Elibrary 24
OpenAlex 28
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