Herreros B, Metz A W, Harbison G S
Department of Chemistry, University of Nebraska at Lincoln, 68588-0304, USA.
Solid State Nucl Magn Reson. 2000 Jun;16(3):141-50. doi: 10.1016/s0926-2040(00)00063-1.
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.
已计算出化学位移和二阶四极粉末图谱的低阶矩作为控制相互作用的各向异性和不对称参数的函数，并对表达式进行反演以给出这些参数作为矩的函数。理论模拟和实验经验表明，在大多数情况下，矩分析作为一种获取核磁共振参数的方法，其准确性与直接检查相当，在某些情况下甚至超过直接检查。我们举例说明了该方法应用于核酸的31P化学位移谱以及一系列钾盐的39K二阶图谱的有效性。
