Total line shape analysis of high-resolution NMR spectra

被引：3
|
作者：
Cheshkov, Dmitry A. [1 ]
Sinitsyn, Dmitry O. [2 ]
机构：
[1] State Sci Res Inst Chem & Technol Organoelement C, Moscow, Russia
[2] Res Ctr Neurol, Moscow, Russia
来源：
ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 100 | 2020年 / 100卷
关键词：
Total line shape analysis; Spin-spin coupling constants; Multiplet structure elucidation; Broadening approach; Simulated annealing; TOTAL LINESHAPE ANALYSIS; REFERENCE DECONVOLUTION; AUTOMATED-ANALYSIS; OPTIMIZATION; ENHANCEMENT;
D O I：
10.1016/bs.arnmr.2019.11.001
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Analysis of high-resolution NMR spectra consist in determining the parameters of the spin system that provide the best correspondence between the theoretical and experimental spectra. This review is devoted to modern approaches to the total line shape analysis of high-resolution NMR spectra; discussion of difficulties and pitfalls associated with both the fundamental features of high-resolution NMR spectra and the optimization of parameters values. The question of the accuracy of determining values of spin systems parameters is discussed. Practical examples of the spectra analysis are considered, as well as recommendations for obtaining experimental NMR spectra of high quality.
引用
收藏
页码：61 / 96
页数：36
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