COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY
and Symbols for Use in Nuclear Magnetic Resonance
(IUPAC Recommendations 1997)
Robin K. Harris,
and Sonia Cabral
World Wide Web version
text - pdf 381 kB]
Abstract: NMR is now frequently the technique of choice for
the determination of chemical structure in solution. Its uses also span
structure in solids and mobility at the molecular level in all phases.
The research literature in 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 symbols for the same physical quantity. It is the aim
of the present recommendations to provide simple check-lists that will
enable such problems to be minimised in a way that is consistent with
general IUPAC formulation. The area of medical NMR and imaging is not
specifically addressed in these recommendations, which are principally
aimed at the mainstream use of NMR by chemists (of all sub-disciplines)
and by many physicists, biologists, materials scientists and geologists
etc. working with NMR.
The document presents recommended notation for use in journal publications
involving a significant contribution of nuclear magnetic 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.
B. A list of symbols (using Roman or Greek characters) to be used
for quantities relevant to NMR.
A. NMR EXPERIMENTAL PARAMETERS for reporting
- Pulse conditions
- Processing parameters
- Solid-state spectra (additional
- Relaxation measurements
- Multidimensional spectra
- Additional notes
B. SYMBOLS FOR NMR AND RELATED QUANTITIES
- Roman alphabet
- Greek alphabet
Commission Membership during the preparation
of this report
Questions regarding this document, please
contact R K. Harris