Butane Isomers Mobility and Framework Dynamics in UiO-66 (Zr) MOF: Impact of the Hydroxyl Groups in Zirconia Cluster Full article
| Journal |
Solid State Nuclear Magnetic Resonance
ISSN: 0926-2040 , E-ISSN: 1527-3326 |
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| Output data | Year: 2022, Volume: 118, Article number : 101784, Pages count : 7 DOI: 10.1016/j.ssnmr.2022.101784 | ||||
| Tags | 2H solid-state NMR; Butane isomers separation; Butane mobility; Diffusivity; Framework dynamics; UiO-66 (Zr) | ||||
| 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 | 19-33-90026 (АААА-А19-119100390010-3) |
Abstract:
UiO-66 (Zr) is a metal-organic framework (MOF) known for its thermal and chemical stability and wide range of adsorption-based applications. This MOF exhibits high separation selectivity for butane isomers. It has been earlier inferred that the separation performance of the material depends on the hydroxylation state of the zirconia cluster. In this contribution, we apply 2H solid-state NMR to characterize the dynamics of both the MOF organic framework itself and butane isomers in hydroxylated and dehydroxylated forms of UiO-66. It is established that the rate of π-flipping and the amplitude of the phenylene ring plane librations in the framework are higher for the dehydroxylated form. Self-diffusion coefficients of butane isomers have been estimated for both forms of UiO-66. The diffusivity is higher for n-butane in the dehydroxylated form, whereas the diffusion of isobutane is not affected by the presence of OH groups in the zirconia cluster of the MOF. Higher diffusivity of n-butane in dehydroxylated form is accounted for by the larger effective diameter of the window between the adjacent cages in this form, which arises from faster rotation and larger amplitude of framework linker libration. This rationalizes the higher efficiency of the dehydroxylated form of UiO-66(Zr) material for butane isomers separation. © 2022 Elsevier Inc.
Cite:
Khudozhitkov A.E.
, Arzumanov S.S.
, Kolokolov D.I.
, Stepanov A.G.
Butane Isomers Mobility and Framework Dynamics in UiO-66 (Zr) MOF: Impact of the Hydroxyl Groups in Zirconia Cluster
Solid State Nuclear Magnetic Resonance. 2022. V.118. 101784 :1-7. DOI: 10.1016/j.ssnmr.2022.101784 WOS Scopus РИНЦ ANCAN PMID OpenAlex
Butane Isomers Mobility and Framework Dynamics in UiO-66 (Zr) MOF: Impact of the Hydroxyl Groups in Zirconia Cluster
Solid State Nuclear Magnetic Resonance. 2022. V.118. 101784 :1-7. DOI: 10.1016/j.ssnmr.2022.101784 WOS Scopus РИНЦ ANCAN PMID OpenAlex
Dates:
| Submitted: | Dec 24, 2021 |
| Accepted: | Feb 18, 2022 |
| Published online: | Feb 25, 2022 |
| Published print: | Apr 1, 2022 |
Identifiers:
| Web of science: | WOS:000788834800002 |
| Scopus: | 2-s2.0-85125619356 |
| Elibrary: | 48187677 |
| Chemical Abstracts: | 2022:633624 |
| Chemical Abstracts (print): | 178:322628 |
| PMID: | 35247850 |
| OpenAlex: | W4214645928 |