DETERMINATION OF THE SYMMETRY OF THE ELECTRIC-FIELD GRADIENT TENSOR FOR SPIN-3 2 NUCLEI IN POLYCRYSTALLINE 2,4,6-TRICHLORO-1,3,5-TRIAZINE BY 2-DIMENSIONAL NUTATION FT MAXIMUM-ENTROPY METHOD NQR SPECTROSCOPY/
M. Mackowiak et al., DETERMINATION OF THE SYMMETRY OF THE ELECTRIC-FIELD GRADIENT TENSOR FOR SPIN-3 2 NUCLEI IN POLYCRYSTALLINE 2,4,6-TRICHLORO-1,3,5-TRIAZINE BY 2-DIMENSIONAL NUTATION FT MAXIMUM-ENTROPY METHOD NQR SPECTROSCOPY/, Journal of molecular structure, 345, 1995, pp. 173-180
An approach for the evaluation of the asymmetry parameter, eta, of the
electric field gradient tenser for spin-3/2 systems from two-dimensio
nal nutation spectroscopy using the maximum entropy method (MEM) is pr
esented. The superiority of the MEM over the traditional fast Fourier
transform (FFT) method is demonstrated in NQR spectral analysis of two
-dimensional (2D) data. A comparison of the theoretically simulated 2D
spectrum (FFT and MEM) with that recorded experimentally is shown to
permit the evaluation of eta with improved sensitivity. Use of the MEM
in 2D-NQR spectroscopy can lead to sensitivity improvements, reductio
n of instrumental artefacts and truncation errors, shortened data acqu
isition times and automatic suppression of noise, while at the same ti
me increasing the resolution. The method has been successfully demonst
rated for the two Cl-35 sites in polycrystalline 2,4,6-trichloro-1,3,5
-triazine (cyanuric chloride).