WSOLIDS1: Static: Quadrupolar Nucleus [ Go Home ]

This squeezed picture shows an example for the succesful simulation of a spectrum of a quadrupolar nucleus that shows the combined effect of chemical shift anisotropy and quadrupolar interaction in a powder sample. It is the ¹³³Cs NMR spectrum of cesium cadmium thiocyanate, CsCd(SCN)₃, and the results have been published in:

S. Kroeker, K. Eichele, R.E. Wasylishen, J.F. Britten:
Cesium-133 NMR Study of CsCd(SCN)₃: Relative Orientation of the Chemical Shift and Electric Field Gradient Tensors.
J. Phys. Chem. B 1997, 101, 3727-3733.

Click on the picture to have a better look.

Background

In addition to the chemical shift anisotropy (CSA), the spectrum of a quadrupolar nucleus will also depend on the nuclear quadrupolar interaction and the relative orientation of both interactions. The quadrupolar interaction is considered up to second order for the observed nucleus. Optionally, dipolar and indirect coupling to a heteronucleus can be added (note: quadrupolar interaction, if any, is neglected for the coupled heteronucleus).

[ Go Home ] | last modified: 16.08.2001