Probing the Dynamics of the Porous Zr Terephthalate UiO-66 Framework Using 2H NMR and Neutron Scattering | Sciact - CRIS-system of Boreskov Institute of Catalysis

Probing the Dynamics of the Porous Zr Terephthalate UiO-66 Framework Using 2H NMR and Neutron Scattering Full article

Journal

The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455

Output data

Year: 2012, Volume: 116, Number: 22, Pages: 12131-12136 Pages count : 6 DOI: 10.1021/jp3029193

Tags

Activation energy; Benzene; Carboxylation; Dynamics; Java programming language; Neutron scattering

Authors

Kolokolov D.I. ^1,4 , Stepanov A.G. ¹ , Guillerm V. ² , Serre C. ² , Frick B. ³ , Jobic H. ⁴

Affiliations

1	Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk 630090, Russia
2	Institut Lavoisier, UMR CNRS 8180, Universitéde Versailles Saint-Quentin-en-Yvelines, 78035 Versailles, France
3	Institut Laue Langevin, BP 156, 38042 Grenoble, France
4	Institut de Recherches sur la Catalyse et l’Environnement de Lyon, UMR CNRS 5256, UniversitéLyon 1, 2. Av. A. Einstein, 69626 Villeurbanne, France

Funding (3)

1	Russian Foundation for Basic Research	09-03-93113
2	Russian Foundation for Basic Research	12-03-00316
3	European Commission	228862 FP7-NMP-2008-LARGE-2 MACADEMIA

2H NMR and quasi-elastic neutron scattering techniques have been used to study the rotational dynamics of the 1,4-benzene-dicarboxylate (BDC) linkers in the porous cubic UiO-66(Zr) metal−organic framework (MOF). The rotation of the benzene rings in the BDC linkers is at the limit of detection of the neutron technique, but it fits perfectly on the 2H NMR time scale. The aromatic rings in the UiO-66 framework exhibit the lowest rotational barrier compared to other MOFs, the activation energy for π-flips being 30 kJ mol−1. However, instead of having well-defined flipping rates like in MOF-5, MIL-47, or MIL-53, UiO-66(Zr) shows a distribution of flipping correlation times, probably due to local disorder in the structure. Because of the rotational motion of the benzene rings, the effective size of the microporous windows in UiO-66(Zr) appears to be temperature dependent.

Kolokolov D.I. , Stepanov A.G. , Guillerm V. , Serre C. , Frick B. , Jobic H.
Probing the Dynamics of the Porous Zr Terephthalate UiO-66 Framework Using 2H NMR and Neutron Scattering
The Journal of Physical Chemistry C. 2012. V.116. N22. P.12131-12136. DOI: 10.1021/jp3029193 WOS Scopus РИНЦ ANCAN OpenAlex

Submitted:	Mar 27, 2012
Accepted:	May 14, 2012
Published online:	May 22, 2012
Published print:	Jun 7, 2012

Web of science:	WOS:000304888700033
Scopus:	2-s2.0-84861959022
Elibrary:	17989705
Chemical Abstracts:	2012:695347
Chemical Abstracts (print):	156:683310
OpenAlex:	W2330955531

DB	Citing
Web of science	90
Scopus	94
Elibrary	88
OpenAlex	96