Premium
Standardization of chemical shifts of TMS and solvent signals in NMR solvents
Author(s) -
Hoffman Roy E.
Publication year - 2006
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1801
Subject(s) - chemistry , tetramethylsilane , chemical shift , solvent , proton nmr , deuterium , analytical chemistry (journal) , proton , organic chemistry , physics , quantum mechanics
The standard for chemical shift is dilute tetramethylsilane (TMS) in CDCl 3 , but many measurements are made relative to TMS in other solvents, the proton resonance of the solvent peak or relative to the lock frequency. Here, the chemical shifts of TMS and the proton and deuterium chemical shifts of the solvent signals of several solvents are measured over a wide temperature range. This allows for the use of TMS or the solvent and lock signal as a secondary reference for other NMR signals, as compared with dilute TMS in CDCl 3 at a chosen temperature; 25 °C is chosen here. An accuracy of 0.02 ppm is achievable for dilute solutions, provided that the interaction with the solvent is not very strong. The proton chemical shift of residual water is also reported where appropriate. Copyright © 2006 John Wiley & Sons, Ltd.