Molecular structure determination in powders by NMR crystallography from proton spin diffusion

被引：155

作者：

Elena, Benedicte ^{[1
]}

Pintacuda, Guido ^{[1
]}

Mifsud, Nicolas ^{[1
]}

Emsley, Lyndon ^{[1
]}

机构：

[1] Ecole Normale Super Lyon, CEA, Lab Rech Convent, Lab Chim,UMR 5182,CNRS,ENS, F-69364 Lyon, France

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 128卷 / 29期

关键词：

D O I：

10.1021/ja062353p

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The inability to determine molecular structures from powdered samples is a key barrier to progress in many areas of molecular and materials science. We report an approach to structure determination that combines molecular modeling with experimental spin diffusion data obtained from the high-resolution solid-state nuclear magnetic resonance of protons, and which allows the determination of the three-dimensional structure of an organic compound, in powder form and at natural isotopic abundance.

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页码：9555 / 9560

页数：6

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