Chemical Physics Letters, Vol.330, No.3-4, 423-432, 2000
Theoretical analysis of the vanadyl pyrophosphate (VO)(2)P2O7 P-31 NMR spectra
We present a theoretical analysis of the temperature dependence of the vanadyl pyrophosphate VO2P2O7 P-31 NMR spectra. Four distinct phosphorus sites responsible for four signals are identified in the crystal structure. The magnetic states of the crystal are described by two alternative models: the spin ladder and the dimer chain. Within both models, finite clusters with and without periodic conditions are considered. The fit of the experimental NMR data allows us to define combinations of hyperfine coupling parameters which are found to be similar in both spin models.