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固态核磁共振波谱学中四极核的新方法和新应用。

New methods and applications in solid-state NMR spectroscopy of quadrupolar nuclei.

机构信息

School of Chemistry, EaStCHEM, and Centre of Magnetic Resonance, University of St Andrews , St Andrews KY16 9ST, United Kingdom.

出版信息

J Am Chem Soc. 2014 Nov 5;136(44):15440-56. doi: 10.1021/ja504734p. Epub 2014 Oct 21.

Abstract

Solid-state nuclear magnetic resonance (NMR) spectroscopy has long been established as offering unique atomic-scale and element-specific insight into the structure, disorder, and dynamics of materials. NMR spectra of quadrupolar nuclei (I > (1)/2) are often perceived as being challenging to acquire and to interpret because of the presence of anisotropic broadening arising from the interaction of the electric field gradient and the nuclear electric quadrupole moment, which broadens the spectral lines, often over several megahertz. Despite the vast amount of information contained in the spectral line shapes, the problems with sensitivity and resolution have, until very recently, limited the application of NMR spectroscopy of quadrupolar nuclei in the solid state. In this Perspective, we provide a brief overview of the quadrupolar interaction, describe some of the basic experimental approaches used for acquiring high-resolution NMR spectra, and discuss the information that these spectra can provide. We then describe some interesting recent examples to showcase some of the more exciting and challenging new applications of NMR spectra of quadrupolar nuclei in the fields of energy materials, microporous materials, Earth sciences, and biomaterials. Finally, we consider the possible directions that this highly informative technique may take in the future.

摘要

固态核磁共振(NMR)光谱学长期以来一直被认为是提供独特的原子尺度和元素特异性的材料结构、无序和动力学的方法。由于电场梯度和核电四极矩相互作用产生的各向异性展宽,四极核(I > (1)/2)的 NMR 谱通常被认为难以获取和解释,这会使谱线变宽,通常超过几个兆赫兹。尽管谱线形状包含大量信息,但灵敏度和分辨率的问题直到最近才限制了固态四极核 NMR 光谱学的应用。在这篇观点文章中,我们简要概述了四极相互作用,描述了一些用于获取高分辨率 NMR 谱的基本实验方法,并讨论了这些谱可以提供的信息。然后,我们描述了一些有趣的最近的例子,展示了在能源材料、微孔材料、地球科学和生物材料等领域中,四极核 NMR 谱的一些更令人兴奋和具有挑战性的新应用。最后,我们考虑了这个高度信息丰富的技术在未来可能的发展方向。

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