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

Abstract

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).