Moment analysis as a systematic tool for NMR powder pattern analysis.
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 31P chemical shift spectra of nucleic acids, and 39K second-order patterns of series of potassium salts.
Herreros
B
B
Department of Chemistry, University of Nebraska at Lincoln, 68588-0304, USA.
Metz
A W
AW
Harbison
G S
GS
D000249:Adenosine Monophosphate / Q000032:analysis; D016880:Anisotropy; D003198:Computer Simulation; D004247:DNA / Q000032:analysis; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008432:Mathematical Computing; D008956:Models, Chemical; D010758:Phosphorus / Q000032:analysis; D011188:Potassium / Q000032:analysis; D011208:Powders; D012313:RNA / Q000032:analysis; D012815:Signal Processing, Computer-Assisted; D012964:Sodium / Q000032:analysis
D011208:Powders; D010758:Phosphorus; D000249:Adenosine Monophosphate; D012313:RNA; D004247:DNA; D012964:Sodium; D011188:Potassium