Chemical Physics Letters, Vol.416, No.4-6, 358-363, 2005
Effects of strong paramagnetic interactions on solid-state deuterium NMR spectra
The method for analyzing the H-2 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 H-2 NMR spectrum were investigated by the spectral simulation. The temperature variation of H-2 NMR spectrum of [Mn(H2O)(6)][SiF6] observed by the Exorcycled quadrupole-echo sequence was well reproduced using the proposed method. (c) 2005 Elsevier B.V. All rights reserved.