Interproton distance determinations by NOE - surprising accuracy and precision in a rigid organic molecule

被引：134

作者：

Butts, Craig P. ^{[1
]}

Jones, Catharine R. ^{[1
]}

Towers, Emma C. ^{[1
]}

Flynn, Jennifer L. ^{[1
]}

Appleby, Lara ^{[1
]}

Barron, Nicholas J. ^{[1
]}

机构：

[1] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England

来源：

ORGANIC & BIOMOLECULAR CHEMISTRY | 2011年 / 9卷 / 01期

基金：

英国工程与自然科学研究理事会;

关键词：

CROSS-RELAXATION RATES; NMR-SPECTRA;

D O I：

10.1039/c0ob00479k

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The accuracy inherent in the measurement of interproton distances in small molecules by nuclear Overhauser enhancement (NOE) and rotational Overhauser enhancement (ROE) methods is investigated with the rigid model compound strychnine. The results suggest that interproton distances can be established with a remarkable level of accuracy, within a few percent of their true values, using a straight-forward data analysis method if experiments are conducted under conditions that support the initial rate approximation. Dealing with deviations from these conditions and other practical issues regarding these measurements are discussed

引用

页码：177 / 184

页数：8

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