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NMR Nomenclature: Nuclear Spin Properties and Conventions for Chemical Shifts: IUPAC Recommendations 2001

โœ Scribed by Robin K Harris; Edwin D Becker; Sonia M Cabral de Menezes; Robin Goodfellow; Pierre Granger


Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
279 KB
Volume
22
Category
Article
ISSN
0926-2040

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โœฆ Synopsis


A unified scale is recommended for reporting the NMR chemical shifts of all nuclei relative to the (1)H resonance of tetramethylsilane. The unified scale is designed to provide a precise ratio, Xi, of the resonance frequency of a given nuclide to that of the primary reference, the (1)H resonance of tetramethylsilane (TMS) in dilute solution (volume fraction, varphi<1%) in chloroform. Referencing procedures are discussed, including matters of practical application of the unified scale. Special attention is paid to recommended reference samples, and values of Xi for secondary references on the unified scale are listed, many of which are the results of new measurements. Some earlier recommendations relating to the reporting of chemical shifts are endorsed. The chemical shift, delta, is redefined to avoid previous ambiguities but to leave practical usage unchanged. Relations between the unified scale and recently published recommendations for referencing in aqueous solutions (for specific use in biochemical work) are discussed, as well as the special effects of working in the solid state with magic-angle spinning. In all, nine new recommendations relating to chemical shifts are made. Standardised nuclear spin data are also presented in tabular form for the stable (and some unstable) isotopes of all elements with non-zero quantum numbers. The information given includes quantum numbers, isotopic abundances, magnetic moments, magnetogyric ratios, and receptivities, together with quadrupole moments and line-width factors (where appropriate).


๐Ÿ“œ SIMILAR VOLUMES


NMR nomenclature: nuclear spin propertie
โœ Robin K. Harris; Edwin D. Becker; Sonia M. Cabral de Menezes; Robin Goodfellow; ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 235 KB

## Abstract An Addendum has been published for this article in Magnetic Resonance in Chemistry 40(9) 2002, 622. A unified scale is recommended for reporting the NMR chemical shifts of __all__ nuclei relative to the ^1^H resonance of tetramethylsilane. The unified scale is designed to provide a pre

NMR nomenclature: nuclear spin propertie
๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 35 KB

We regret that the numbering of chapters and sections, which is important for frequent references in the text, was not printed. The following list provides the necessary information:

NMR Nomenclature: Nuclear Spin Propertie
โœ Robin K. Harris; Edwin D. Becker ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 72 KB

Scientific advances are facilitated by the international adoption of standardised notation and by the establishment of accurate numerical values for many physical quantities. The body charged with oversight of these areas for chemists is the International Union of Pure and Applied Chemistry (IUPAC).

Further Conventions for NMR Shielding an
โœ Robin K. Harris; Edwin D. Becker; Sonia M. Cabral De Menezes; Pierre Granger; Ro ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 274 KB

## Abstract IUPAC has published a number of recommendations regarding the reporting of nuclear magnetic resonance (NMR) data, especially chemical shifts. The most recent publication [**__Pure Appl. Chem.__** **73**, 1795 (2001)] recommended that tetramethylsilane (TMS) serve as a universal referenc