Simulation of slow variable-angle spinning NMR spectra. Application to 13C bonded to N

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Simulations of NMR spectra for spin-j nuclei in rigid solids spun at relatively slow speeds and at angles other than the magic angle are presented. Particular emphasis is on the case where I3C is bonded to a quadrupolar nucleus such as 14N. The feasibility of quantitatively extracting the chemical-shift tensor, bond lengths through the dipolar interaction, and the electric-field gradient of the neighboring nucleus from a single (1-D) spectrum is demonstrated. The sensitivity of the observed changes in the spectra to changes in the physical and experimental parameters is discussed and illustrated using nitrile I3C spectra of solid CH3CN. Equations are derived to extend the theory beyond the adiabatic approximation. ©1996 Academic Press, Inc.

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Journal of Magnetic Resonance - Series A