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无序固体中的化学位移相关性。

Chemical shift correlations in disordered solids.

作者信息

Cadars Sylvian, Lesage Anne, Emsley Lyndon

机构信息

Laboratoire de Chimie (UMR-5182 CNRS-ENS), Laboratoire de Recherche Correspondant du CEA (23 V), Ecole Normale Supérieure de Lyon, 69364 Lyon, France.

出版信息

J Am Chem Soc. 2005 Mar 30;127(12):4466-76. doi: 10.1021/ja043698f.

Abstract

We show how two-dimensional chemical shift conditional probability distributions can be extracted from experimental NMR correlation spectra of disordered solids. We show that transverse dephasing times are of central importance in determining the resolution (and sensitivity) of these probability distributions. These conditional probability distributions provide a new source of structural information characteristic of disordered solids, which is much more sensitive to structure than the individual-atom chemical shift distributions. The structural information contained in these distributions is clearly a potentially extremely rich source for understanding disorder. This is illustrated with examples of a phosphorus-containing organic compound and with a sample of disordered cellulose where the different structural allomorphs present are identified from the distributions.

摘要

我们展示了如何从无序固体的实验核磁共振相关谱中提取二维化学位移条件概率分布。我们表明,横向去相位时间对于确定这些概率分布的分辨率(和灵敏度)至关重要。这些条件概率分布提供了无序固体结构信息的新来源,其对结构的敏感性远高于单个原子的化学位移分布。这些分布中包含的结构信息显然是理解无序的潜在极其丰富的来源。这通过一种含磷有机化合物的例子以及一个无序纤维素样品得到了说明,其中从分布中识别出了存在的不同结构变体。

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