INTERNATIONAL-UNION-OF-PURE-AND-APPLIED-CHEMISTRY PHYSICAL-CHEMISTRY DIVISION COMMISSION ON MOLECULAR-STRUCTURE AND SPECTROSCOPY - PARAMETERS AND SYMBOLS FOR USE IN NUCLEAR-MAGNETIC-RESONANCE (IUPAC RECOMMENDATIONS 1997)

NMR is now frequently the technique of choice for the determination of chemical structure in solution. Its uses also span structure in solid s and mobility at the molecular level in all phases. The research lite rature on the subject is vast and ever-increasing. Unfortunately, many articles do not contain sufficient information for experiments to be repeated elsewhere, and there are many variations in the usage of symb ols for the same physical quantity. It is the aim of the present recom mendations to provide simple check-lists that will enable such problem s to be minimized in a way that is consistent with general IUPAC formu lation. The area of medical NMR and imaging is not specifically addres sed in these recommendations, which are principally aimed at the mains tream use of NMR by chemists (of all subdisciplines) and by many physi cists, biologists, materials scientists and geologists, etc., working with NMR. The document presents recommended notation for use in journa l publications involving a significant contribution of nuclear magneti c resonance (NMR) spectroscopy. The recommendations are in two parts: (A) experimental parameters which should be listed so that the work in question can be repeated elsewhere; and (B) a list of symbols (using Roman or Creek characters) to be used for quantities relevant to NMR.