화학공학소재연구정보센터
Chemical Physics Letters, Vol.706, 107-112, 2018
Direct observation of the effects of small-amplitude motions on C-13 nuclear shielding tensors by means of low-temperature 2D MAS NMR spectroscopy
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 nonstandard high-resolution Solid State NMR equipment to obtain the first experimental determination of the effects of small-amplitude motions on C-13 Chemical Shift Tensors of a multi-carbon molecule (ibuprofen). (C) 2018 Elsevier B.V. All rights reserved.