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Physical Chemistry Division (I)


Number: 150/18/93

Title: Practical Standards for Nuclear Magnetic Resonance

Coordinator(s): R.K. Harris

Completion Date: 2001 - Project completed

The project seeks to establish an internationally accepted set of consistent standard NMR reference frequencies for all nuclei, and recommended definitions of the local chemical shift scale zero values

A report entitled Recommendations for NMR nomenclature A. Nuclear Spin Properties and Conventions for Chemical Shifts, was reviewed by the Commission at the General Assembly in Geneva in August 1997. Differences with Commission I.7 have been reconciled after much labor over 2 years. These differences arose because biophysical chemists have to use water solvent instead of non-aqueous solvents, which necessitates their use of different standards. This project is at last reaching its final stages. Much time has been spent recently in clarifying and annotating the important accompanying tables listing data for each NMR-active nucleus. This is now essentially complete, and final modifications are being made to the main text, principally by Dr Becker and Professor Harris.

The July 1999 document was approved by the Commission in Berlin and would have been the final document except that it has been realised that it is necessary for the document to deal with the practice of many manufacturers to build corrections to measured data into their programs. It is estimated that up to a year will be required to find out what is done by the manufacturers and to provide enough information to allow readers to relate the standards to what their instruments measure. The document will then be submitted to the Commission for approval, and subsequently to send it to 15 chosen experts for comment, as required for IUPAC documents.

A revised document is submitted to public review comments until 31 August 2001 > see provisional recommendations

Project completed - IUPAC Recommendations 2001 published in Pure Appl. Chem. 73(11), 1795-1818, 2001.

Last update: 19 February 2002


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