Full quadrupolar tensor determination by NMR using a micro-crystal spinning at the magic angle

Phys Chem Chem Phys. 2010 May 14;12(18):4813-20. doi: 10.1039/b927449a. Epub 2010 Mar 22.

Abstract

An implementation of rotor-synchronised Magic Angle Spinning (MAS) NMR is presented to determine the quadrupolar coupling tensor values from a single crystal study for half-integer quadrupolar nuclei. Using a microcoil based probehead for studying micro crystals with superior sensitivity, we successfully determine the full quadrupolar tensor of (23)Na using a micro crystal of dimensions 210 x 210 x 700 mum of NaNO(3) as a model system. A two step simulation procedure is used to obtain the orientation of the quadrupolar tensor information from the experimental spectra and is verified by XRD analysis.