Abstract
For quadrupolar spin systems, interpretation of solid state NMR spectra can be hampered by the presence of resonances from both satellite and central transitions. This is particularly true for disordered systems, where many different quadrupolar sites exist, which can have strongly different quadrupolar coupling constants. If second order effects are too strong for obtaining meaningful MAS, MQMAS or STMAS spectra, an approach is needed to successfully separate central and satellite transitions. In this work, we provide a rigorous treatment of 2D quadrupolar nutation NMR for the study of central and satellite transitions in quadrupolar systems. Using this SATURN experiment (SAtellite Transition nUtation of quadRupolar Nuclei) spectral intensity can be assigned to contributions from either central or satellite transitions. We show that the experiment can be applied to any half-integer spin (3/2, 5/2, 7/2 and 9/2), and that spectra can be obtained that closely match simulations. We furthermore show that distributions in quadrupolar parameters do not hamper the assignment of central and satellite transitions from a SATURN experiment.
Highlights
Solid state NMR is routinely used for the study of materials owing to its sensitivity to local atomic structure and dynamics
We have given a rigorous treatment of the 2D quadrupolar nutation NMR experiment (SATURN) for the study of central and satellite transitions in quadrupolar systems
Due to the different influence of the quadrupolar coupling on the central and satellite transitions, the evolution of observable magnetization during a pulse can be used to distinguish both types of transitions
Summary
Solid state NMR is routinely used for the study of materials owing to its sensitivity to local atomic structure and dynamics. Whose spectra consists of broad second order lineshapes, where MAS, MQMAS and STMAS experiments fail to resolve the lineshape due to the physical limits on the spinning speed [1,2,3,4,5,6] In this case, a method is needed that can distinguish between central and satellite transitions, allowing proper assignment of any observed spectral intensities. We give a thorough background of the theoretical aspects of the experiment, and show that it can be used to analyse half-integer quadrupolar nuclei systems with any spin quantum number This experiment, nicknamed SATURN (SAtellite Transition nUtation of quadRupolar Nuclei), is shown to be insensitive to distributions in quadrupolar parameters, which can occur for disorder sites
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