Hung, Ivan, Wong, Alan, Howes, Andy P., Anupõld, Tiit, Samoson, Ago, Smith, Mark E., Holland, D., Brown, Steven P. and Dupree, Ray. (2009) Separation of isotropic chemical and second-order quadrupolar shifts by multiple-quantum double rotation NMR. Journal of Magnetic Resonance, Vol.197 (No.2). pp. 229-236. ISSN 1090-7807

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Abstract

Using a two-dimensional multiple-quantum (MQ) double rotation (DOR) experiment the contributions of the chemical shift and quadrupolar interaction to isotropic resonance shifts can be completely separated. Spectra were acquired using a three-pulse triple-quanturn z-filtered pulse sequence and Subsequently sheared along both the nu(1) and nu(2) dimensions. The application of this method is demonstrated for both crystalline (RbNO3) and amorphous samples (vitreous B2O3). The existence of the two rubidium isotopes (Rb-85 and Rb-87) allows comparison of results for two nuclei with different spins (I = 3/2 and 5/2), as well as different dipole and quadrupole moments in a single chemical compound. Being only limited by homogeneous line broadening and sample crystallinity, linewidths of approximately 0.1 and 0.2 ppm can be measured for Rb-87 in the quadrupolar and chemical shift dimensions, enabling highly accurate determination of the isotropic chemical shift and the quadrupolar product, P-Q. For vitreous B2O3, the use of MQDOR allows the chemical shift and electric field gradient distributions to be directly determined-information that is difficult to obtain otherwise due to the presence of second-order quadrupolar broadening. (C) 2009 Elsevier Inc. All rights reserved.

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:	Journal of Magnetic Resonance
Publisher:	Academic Press
ISSN:	1090-7807
Date:	April 2009
Volume:	Vol.197
Number:	No.2
Number of Pages:	8
Page Range:	pp. 229-236
Identification Number:	10.1016/j.jmr.2009.01.005
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Funder:	Leverhulme Trust (LT), Engineering and Physical Sciences Research Council (EPSRC), Biotechnology and Biological Sciences Research Council (Great Britain) (BBSRC), University of Warwick, Natural Sciences and Engineering Research Council of Canada (NSERC)
URI:	http://wrap.warwick.ac.uk/id/eprint/28205

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