Estimation of internuclear couplings in the solid-state NMR of multiple-spin system. Selective spin echoes and off-magic-angle sample spinning


Internuclear couplings between selected homonuclear spin pairs in a multiply-labelled spin system are determined by NMR spin echo experiments in the solid-state. The spin echoes are induced by an amplitude-modulated shaped pulse. The time shift in the echo modulation curve is treated by average Hamiltonian theory and verified by numerical simulation. The J-couplings may be estimated by experiments on samples spinning at the magic-angle, while the direct dipole-dipole couplings may be estimated by off-magic-angle spinning. The concept is tested on a uniformly 13C-enriched sample of l-histidine hydrochloride monohydrate.


G. Pileio, S. Mamone, G. Mollica, I. Marín Montesinos, A. Gansmüller, M. Carravetta, S. P. Brown and M. H. Levitt

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