Direct observation of the effects of small-amplitude motions on 13C nuclear shielding tensors by means of low-temperature 2D MAS NMR spectroscopy

摘要

Fast small-amplitude motions, such as vibrations or librations, do affect NMR properties of molecules in the solid state. The quantification of these effects is very important for structural studies exploiting Solid State NMR and computational methods, particularly in the field of NMR crystallography. In this work 2D MAS NMR experiments were carried out over a wide range of low temperatures (129–295?K) on a non-standard high-resolution Solid State NMR equipment to obtain the first experimental determination of the effects of small-amplitude motions on13C Chemical Shift Tensors of a multi-carbon molecule (ibuprofen).