Concepts: Structural Information from Quadrupolar Nuclei in Solid State NMR . Sharon E. Ashbrook, Melinda J. Duer.

Concepts in Magnetic Resonance Part A
Volume 28A, Issue 3 , Pages 183 - 248

Special Issue: Structural Information from Quadrupolar Nuclei in Solid State NMR . Issue Edited by Sharon E. Ashbrook, Melinda J. Duer.

Published Online: 4 May 2006

Structural information from quadrupolar nuclei in solid state NMR
Sharon E. Ashbrook 1, Melinda J. Duer 2 *
1 School of Chemistry and EaStChem, University of St. Andrews, North Haugh, St. Andrews, KY16 9ST, United Kingdom
2 Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, United Kingdom

Keywords
solid-state NMR • quadrupole coupling • quadrupolar nuclei • structure determination • magic-angle spinning • double rotation • dynamic-angle spinning • correlation spectroscopy • multiple-quantum magic-angle spinning • satellite-transition magic-angle spinning • multiple quantum • rotational resonance • rotational-echo double resonance • J-coupling • scalar coupling • computation/calculation of NMR parameters

Abstract
Solid-state NMR has become the method of choice for determining details of molecular-level structure in heterogeneous systems. Though spin-1/2 nuclei still form the core of most such studies, quadrupolar nuclei are increasingly being used. This review assesses what is currently possible, from achieving high-resolution spectra for quadrupolar nuclei (a prerequisite for most structure determination work), to forming correlation spectra which give qualitative details of spatial proximity of nuclei and the determination of internuclear distances, between quadrupolar spins and quadrupolar and spin-1/2 nuclei. Examples are given of each method discussed, and the advantages and disadvantages of the various experiments for different possible applications are assessed. © 2006 Wiley Periodicals, Inc. Concepts Magn Reson Part A 28A: 183-248, 2006.