Quad-NMR on solids by D. Freude and J. Haase
Description: Java applets for calculating nutation NMR line intensities of half-integer quadrupole spins excited by pulse sequences
Knowing the quadrupole coupling in NMR (nuclear magnetic resonance) of a nucleus in solids allows us to determine the local symmetry of a crystallographic site.
With a featureless NMR lineshape , lineshape analysis is not suitable for determining the quadrupole coupling. Since the variation of the line intensity versus the RF (radio-frequency) pulse length depends on the quadrupole coupling, the one-dimensional nutation method, which records a series of spectra for increasing RF pulse length, allows us to extract the quadrupole coupling by fitting the experimental line intensities to the theoretical curve.
Java applets are provided for calculating the nutation NMR line intensity of half-integer quadrupole spins , excited by various RF pulse sequences, in order to determine the quadrupole coupling in a single crystal and powder by fitting a series of experimental line intensities with the Simplex procedure .
Quad-NMR on solids by D. Freude and J. Haase