Freitas, Jair C. C., Wong, Alan and Smith, Mark E.. (2009) Solid-state natural abundance Mg-25 NMR studies of Na(2)MgEDTA center dot 4H(2)O - a possible new reference compound for Mg-25 NMR spectroscopy. Magnetic Resonance in Chemistry, Vol.47 (No.1). pp. 9-15. ISSN 0749-1581

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Abstract

Natural abundance solid-state Mg-25 NMR measurements were made of the disodium salt of magnesium ethylenediaminete-traacetate tetrahydrate (Na(2)MgEDTA center dot 4H(2)O). Both magic angle spinning (MAS) and static experiments were employed to determine the quadrupole coupling constant (C-q) and the asymmetry parameter (eta(q)) of the electric field gradient (EFG) tensor associated with Mg-25 in this compound, giving the values C-q = 1.675(5) MHz and eta(q) = 0.15(1). The isotropic chemical shift was determined to be delta(iso) = 0.25(10) ppm (relative to 11 M MgCl2 aqueous solution) and a small chemical shift anisotropy (CSA) contribution (similar to-13 ppm) was detected, one of the first CSA reports in Mg-25 NMR. This compound exhibited remarkably good Mg-25 NMR sensitivity, due to its fast spin-lattice relaxation and modest quadrupole coupling, which allowed its use as a secondary shift reference and as a test sample for the implementation and optimisation of signal-enhancement methods in Mg-25 NMR spectroscopy, such as double frequency sweeps (DFS) and the use of adiabatic hyperbolic secant (HS) and WURST pulses. Copyright (C) 2008 John Wiley & Sons, Ltd.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry Q Science > QC Physics
Divisions:	Administration > Vice Chancellor's Office Faculty of Science > Physics
Journal or Publication Title:	Magnetic Resonance in Chemistry
Publisher:	John Wiley & Sons Ltd.
ISSN:	0749-1581
Date:	January 2009
Volume:	Vol.47
Number:	No.1
Number of Pages:	7
Page Range:	pp. 9-15
Identification Number:	10.1002/mrc.2328
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Funder:	CNPq, Biotechnology and Biological Sciences Research Council (Great Britain) (BBSRC), Natural Sciences and Engineering Research Council (Canada), CAPES, Federal University of Espirito Santo (Brazil)
URI:	http://wrap.warwick.ac.uk/id/eprint/28753

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