1D and 2D MAS NMR spectra of a dipolar-coupled homonuclear spin-(1/2) pair

An analytical approach based on the average Hamiltonian theory is proposed for efficient calculation of the MAS NMR spectra of a dipolar-coupled homonuclear spin-(1/2) pair. For this purpose a superoperator formalism is developed which allows one to describe the spectra over a broad span of sample spinning rates, including the exact rotational resonances. This formalism can also be applied to the description of 2D polarization exchange spectra, which in many cases turns out to be useful for measuring the coupling strength. The experimental MAS NMR and the 2D spectra of doubly 13C-labeled zinc acetate were found to be in good agreement with the calculated spectra. Copyright 1997 Academic Press. Copyright 1997Academic Press