Effects of strong paramagnetic interactions on solid-state deuterium NMR spectra

The method for analyzing the 2H NMR spectrum affected by strong paramagnetic interaction is discussed. The 2H NMR spectral simulation including the effects of paramagnetic shift and paramagnetic spin–spin relaxation was performed for several molecular motions. The contribution of distant paramagnetic ions to the paramagnetic shift and the effect of anisotropic spin–spin relaxation on the lineshape of the 2H NMR spectrum were investigated by the spectral simulation. The temperature variation of 2H NMR spectrum of [Mn(H2O)6][SiF6] observed by the Exorcycled quadrupole-echo sequence was well reproduced using the proposed method.