Abstract
Prudent analysis of the solid state 13C MAS NMR spectra of polycrystalline K 2Pt(CN) 4·3H 2O (KTCP) − reveals that in crystals of this compound there are two types of carbon nuclei with slightly different 13C chemical shift tensors, contrary to what is found for the solution NMR spectrum and previous static powder NMR studies on this compound and the high resolution solid state NMR studies on other similar compounds. The 13C MAS spectra measured at different rotor spinning speeds are satisfactorily simulated though the use of a newly developed computer program based on a novel density matrix formulation. The present method is eminently successful even though the spectra are rather complicated because of (1) the relatively large anisotropies of the chemical shift tensors; (2) the high-order dipolar interactions between 13C and 14N nuclei because of the strong quadrupolar coupling constants of 14N nuclei; and (3) the indirect J-coupling between the 13C and 195Pt. The principal elements as well as their orientations of the two 13C chemical shift tensors are evaluated from the spectral simulations.
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