
doi: 10.14288/1.0085015
handle: 2429/23156
NMR spectra of many systems governed by axially symmetric second rank tensor interactions exhibit P2(cos θ) dependence on the angle 9 between the symmetry axis and the externally applied magnetic field. For the so-called "powder samples" consisting of many randomly oriented domains the resulting spectrum is the superposition of contributions from each such domain. This study deals with a numerical technique enabling one to obtain the lineshapes of such individual contributions responsible for the given powder spectrum. The electric dipolar interaction between two spin 1/2 nuclei produces a characteristic powder lineshape called "Pake doublet", after G.E.Pake, hence the name "de-pake-ing". An iterative algorithm capable of dealing with spectra produced by a variety of systems is developed and checked by applying it to a wide range of simulated NMR spectra. A set of characteristic "signatures" associated with different experimental situations is established and the limits of the applicability of the technique are determined.
530, Nuclear magnetic resonance spectroscopy
530, Nuclear magnetic resonance spectroscopy
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