Local Structure in Disordered Melilite Revealed by Ultrahigh Field 71 Ga and 139 La Solid-State Nuclear Magnetic Resonance Spectroscopy
Local Structure in Disordered Melilite Revealed by Ultrahigh Field 71 Ga and 139 La Solid-State Nuclear Magnetic Resonance Spectroscopy
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超高场 71 Ga 和 139 La 固态核磁共振波谱揭示无序黄长石的局域结构
DOI：
10.1002/cphc.202300934
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发表时间：
2024
期刊：
影响因子：
2.9
通讯作者：
Corti L
中科院分区：
文献类型：
--
作者：
Corti L
超高磁场下四极核的多核核磁共振 (NMR) 光谱为具有 La1+xSr1-xGa3O7+0.5xmelilite 结构的快速氧化物离子电解质家族的短程结构提供了令人信服的见解。使用世界上独特的串联混合磁体在 35.2 T 下测量，固态 71Ga NMR 光谱的分辨率显着提高，明显解析了四重和五重配位环境中的 Ga 位点。鉴于 GaO5 单元可容纳间隙氧化物离子并提供优异的传输性能，检测位点无序 La1.54Sr0.46Ga3O7.27melilite 中的五配位 Ga 中心至关重要。这项工作强调了超高磁场对于检测包含四极核的系统中其他宽光谱特征的重要性，以及基于系综的计算方法在解释位点无序材料获取的 NMR 数据方面的潜力。
Multinuclear Nuclear Magnetic Resonance (NMR) spectroscopy of quadrupolar nuclei at ultrahigh magnetic field provides compelling insight into the short‐range structure in a family of fast oxide ion electrolytes with La1+xSr1‐xGa3O7+0.5xmelilite structure. The striking resolution enhancement in the solid‐state71Ga NMR spectra measured with the world's unique series connected hybrid magnet operating at 35.2 T distinctly resolves Ga sites in four‐ and five‐fold coordination environments. Detection of five‐coordinate Ga centers in the site‐disordered La1.54Sr0.46Ga3O7.27melilite is critical given that the GaO5unit accommodates interstitial oxide ions and provides excellent transport properties. This work highlights the importance of ultrahigh magnetic fields for the detection of otherwise broad spectral features in systems containing quadrupolar nuclei and the potential of ensemble‐based computational approaches for the interpretation of NMR data acquired for site‐disordered materials.