Titre :

Further conventions for NMR shielding and chemical shifts (IUPAC recommendations 2008) (Reprinted from Pure Appl. Chem., vol 80, pg 59, 2008)

Auteur(s) :

Harris, Robin K. [Auteur]
Duke University School of Medicine [Durham, NC, USA]
De Menezes, Sonia M. Cabral [Auteur]
Instituto Cidade Democrática
Granger, Pascal [Auteur]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Site Louis Pasteur [CHPC]
Hoffman, Roy E. [Auteur]
The Hebrew University of Jerusalem [HUJ]
Zilm, Kurt W. [Auteur]
Yale University [New Haven]

Titre de la revue :

Magnetic Resonance in Chemistry

Nom court de la revue :

Magn. Reson. Chem.

Numéro :

46

Pagination :

582-598

Date de publication :

2008-04-14

ISSN :

0749-1581

Mot(s)-clé(s) en anglais :

shielding tensors
IUPAC Physical and Biophysical Chemistry Division
conventions
chemical shifts
recommendations
nuclear magnetic resonance

Discipline(s) HAL :

Chimie

Résumé en anglais : [en]

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 ...
Lire la suite >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 reference for reporting the shifts of all nuclides, but it deferred recommendations for several aspects of this subject. This document first examines the extent to which the 1H shielding in TMS itself is subject to change by variation in temperature, concentration, and solvent. On the basis of recently published results, it has been established that the shielding of TMS in solution [along with that of sodium-3-(trimethylsilyl)propanesulfonate, DSS, often used as a reference for aqueous solutions] varies only slightly with temperature but is subject to solvent perturbations of a few tenths of a part per million (ppm). Recommendations are given for reporting chemical shifts under most routine experimental conditions and for quantifying effects of temperature and solvent variation, including the use of magnetic susceptibility corrections and of magic-angle spinning (MAS). This document provides the first IUPAC recommendations for referencing and reporting chemical shifts in solids, based on high-resolution MAS studies. Procedures are given for relating 13C NMR chemical shifts in solids to the scales used for high-resolution studies in the liquid phase. The notation and terminology used for describing chemical shift and shielding tensors in solids are reviewed in some detail, and recommendations are given for best practice. © 2008 IUPAC. Reprinted with permission from Pure Appl. Chem. 2008; 80: 59. This article can be freely downloaded from http://www.iupac.org/publications/pac/80/1/0059/ and can be copied, provided acknowledgement to IUPAC is given.Lire moins >

Langue :

Anglais

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS
Centrale Lille
ENSCL
Univ. Artois

Collections :

• Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181

Équipe(s) de recherche :

Remédiation et matériaux catalytiques (REMCAT)

Date de dépôt :

2023-05-30T18:15:01Z
2024-04-25T11:58:19Z