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Dynamics of Benzene Rings in MIL‐53(Cr) and MIL‐47(V) Frameworks Studied by 2 H NMR Spectroscopy
Author(s) -
Kolokolov Daniil I.,
Jobic Hervé,
Stepanov Alexander G.,
Guillerm Vincent,
Devic Thomas,
Serre Christian,
Férey Gérard
Publication year - 2010
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201001238
Subject(s) - benzene , spectroscopy , nuclear magnetic resonance spectroscopy , chemistry , dynamics (music) , crystallography , stereochemistry , physics , organic chemistry , quantum mechanics , acoustics
Rotational dynamics of benzene rings in the flexible MIL‐53 and rigid MIL‐47 frameworks was investigated by 2 H 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).