Solid-State Effects on NMR Chemical Shifts

This review presents first a qualitative description of the changes observed in the measured chemical shifts in solid state when compared with those obtained in solution. This qualitative description of the intermolecular interactions that affect the chemical shifts is followed by a comprehensive description of the theoretical methods available to analyze the solid-state effects on the chemical shifts. There are numerous examples of solid-state effects in the literature; here we have selected some of the most notable ones, which are presented as case studies. These case studies are classified by nuclei and by the dominant interaction that defines the solid-state effects. Examples are presented for ¹³C, ^15/14N, ¹H, ¹⁷O, ³¹P, and ¹⁹F. In addition to the effects discussed for chemical shifts the review also presents examples of the solid-state effects on the quadrupolar constants in the case of non 1/2 spin nuclei. © 2007 Elsevier Ltd. All rights reserved.

Duke Scholars

Author Julio Cesar Facelli Biostatistics & Bioinformatics, Division of Translational Bi ...