Single- and Multiple-Quantum Cross-Polarization in NMR of Quadrupolar Nuclei in Static Samples

Cross-polarization from a spin I = 1/2 nucleus (e.g., H-1) to a spin S = 3/2 nucleus (e.g., Na-23) or a spin S = 5/2 nucleus (e.g., Al-27 or O-17) in static powder samples is investigated. The results of conventional (single-quantum), three-quantum, and five-quantum cross-polarization experiments are presented and discussed. Based on a generalization of an existing theory of cross-polarization to quadrupolar nuclei, computer simulations are used to model the intensity and lineshape variations observed in cross-polarized NMR spectra as a function of the radiofrequency field strengths of the two simultaneous spin-locking pulses. These intensity and lineshape variations can also be understood in terms of the spin S = 3/2 or 5/2 nutation rates determined from experimental quadrupolar nutation spectra. The results of this study are intended as a preliminary step towards understanding single- and multiple-quantum crosspolarization to quadrupolar nuclei under MAS conditions and the application of these techniques to the MQMAS NMR experiment.