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首页> 外文期刊>The Journal of Chemical Physics >THE EFFECT OF SPIN DECOUPLING ON LINE SHAPES IN SOLID-STATE NUCLEAR MAGNETIC RESONANCE
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THE EFFECT OF SPIN DECOUPLING ON LINE SHAPES IN SOLID-STATE NUCLEAR MAGNETIC RESONANCE

机译：旋转去耦对固态核磁共振中线形的影响

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摘要

Experimental and theoretical aspects of carbon-13 line shapes in static solids are described for on-resonance spin decoupling conditions. A relatively simple theoretical approach is provided for describing line shapes in static solids based on an operator representation of static second-order perturbation theory and theoretical line shapes in I2S and InS systems are calculated. The line shapes are predicted to comprise a single center line and ''decoupling sidebands'' on each side of the center line which move outward and diminish in amplitude as the decoupling field is increased. The predicted behavior is confirmed by experiments on an isolated seven spin system, where the decoupling sidebands are observed directly, and some organic solids in which the decoupling sidebands are not observed directly but in which their presence can be deduced from the behavior of the center line. A comparison is made between the theoretical predictions based on a complete quantum mechanical treatment and the predictions made using classical approximations in the model for the line shape. We conclude, based on our experimental results, that the line shape has a character which reflects the quantum nature of the spin system, even it? organic solids, and that on-resonance terms appear to dominate experimental line shapes. (C) 1996 American Institute of Physics. [References: 40]
机译：描述了在共振自旋去耦条件下静态固体中碳13线形的实验和理论方面。根据静态二阶微扰理论的算符表示，提供了一种相对简单的理论方法来描述静态实体中的线形，并计算了I2S和InS系统中的理论线形。预测线形将包括单个中心线和中心线每一侧的“去耦边带”，这些边带将向外移动并随着去耦场的增加而减小振幅。通过在隔离的七个自旋系统上进行的实验证实了预测的行为，在该系统中可以直接观察到解耦边带，而某些有机固体中没有直接观察到解耦边带，但是可以从中心线的行为推断出它们的存在。 。在基于完全量子力学处理的理论预测与使用线形模型中的经典近似进行的预测之间进行了比较。根据实验结果，我们得出结论，线形具有反映自旋系统量子性质的特征，即使这样？有机固体以及共振项似乎主导了实验线形。 （C）1996年美国物理研究所。 [参考：40]

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