Abstract
A novel method for calculating rotational resonance (R 2) NMR spectra for dipolar-coupled homonuclear spin pairs is presented. A perturbation approach was exploited in the framework of Floquet theory to approximate the time evolution of the spin states, which is not represented in a closed form. The recurrence formulae for the perturbation corrections were derived and very high-order perturbation terms, such as tenth-order, can be calculated efficiently; the spectra thus calculated in the high-order perturbation treatment are substantially exact when the convergence of the perturbation expansion is assured. The computations of the spectra using the present Floquet formalism are fast, permitting the iterative calculations for determining the optimal spin parameters. Experimental results of the R 2 spectra as well as the exchange of the Zeeman order promoted under R 2 conditions are presented and compared with the calculations.
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