COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY (I.5)
Number: 150/18/93
Title: Practical Standards for Nuclear Magnetic
Resonance
Coordinator(s): R.K.
Harris
Completion Date: 2001 - Project completed
Objective:
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
Progress:
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
