Dynamics of Benzene Rings in MIL-53(Cr) and MIL-47(V) Frameworks Studied by 2H NMR Spectroscopy

被引：126
|
作者：
Kolokolov, Daniil I. [1 ,2 ]
Jobic, Herve [1 ]
Stepanov, Alexander G. [2 ]
Guillerm, Vincent [3 ]
Devic, Thomas [3 ]
Serre, Christian [3 ]
Ferey, Gerard [3 ]
机构：
[1] Univ Lyon 1, CNRS, IRCELYON, UMR 5256, F-69626 Villeurbanne, France
[2] Russian Acad Sci, Boreskov Inst Catalysis, Siberian Branch, Novosibirsk 630090, Russia
[3] Univ Versailles St Quentin en Yvelines, Inst Lavoisier, CNRS, UMR 8180, F-78035 Versailles, France
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 28期
基金：
俄罗斯基础研究基金会;
关键词：
metal-organic frameworks; microporous materials; molecular dynamics; NMR spectroscopy; METAL-ORGANIC FRAMEWORK; ELASTIC NEUTRON-SCATTERING; MOLECULAR-DYNAMICS; COORDINATION POLYMERS; FORCE-FIELD; MOF-5; ADSORPTION; SIMULATION; DIFFUSION; SOLIDS;
D O I：
10.1002/anie.201001238
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Chemical Equation Presentation Rotational dynamics of benzene rings in the flexible MIL-53 and rigid MIL-47 frameworks was investigated by 2H NMR spectroscopy. In both cases, 180° flips are observed, and the flipping rate is higher in MIL-53. To simulate experimental spectra (left), consideration of the quadrupolar interaction alone is not sufficient (middle); the paramagnetic effect must also be taken into account (right). © 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：4791 / 4794
页数：4
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