Moment analysis as a systematic tool for NMR powder pattern analysis

Abstract The low order moments for chemical shift and second-order quadrupolar powder patterns have been calculated as functions of the anisotropy and asymmetry parameter of the governing interaction, and the expressions inverted to give these parameters as a function of the moments. Theoretical simulations and experimental experience show that moment analysis in most cases equals and in some cases exceeds the accuracy of direct inspection as a method of obtaining NMR parameters. We illustrate the efficacy of the method applied to 31 P chemical shift spectra of nucleic acids, and 39 K second-order patterns of series of potassium salts.