NMR Structure Determination NMR Structure Determination NMR is not a particularly sensitive technique, but the variety of information it does offer is greater than any other form of spectroscopy. Chemical shifts indicate the type of enviroment in which a nucleus is situated.
Integrations give the relative numbers of nuclei involved.
Splitting patterns show how many other nuclei are nearby and coupling constants give information on the torsion angles between nuclei. The NOE is dependent on the distance between nuclei. Thus, by measuring the intensity of NOE crosspeaks, distance information may be obtained and used to calculate structures. Unlike x-ray crystallography, which produces a single structure representing the average positions of the atoms in all the molecules within a crystal, NMR produces a family of structures, all of which can satisfy the experimental data. Knowledge of the theory behind NMR is not essential for a basic understanding of structure determination, but at the very least it will help familiarise you with all the terms.