Abstract
The nuclear magnetic resonance (NMR) powder patterns observed for the 31P spin pair in Lawesson's reagent ( 1) were analyzed. Using an efficient procedure, wide ranges of the spin parameters were examined to determine whether they might reproduce the experimental one-dimensional (1D) spectrum of the present A 2 spin system. It was demonstrated that the parameters were not uniquely determined from the 1D powder pattern only, but a significant reduction of their uncertainties was realized using the two-dimensional (2D) powder pattern. The molecular structure of 1 was discussed in terms of the refined spin parameters.
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