A new approach for processing STMAS and MQMAS data, based on the two-dimensional one-pulse (TOP) method, that separates the second-rank quadrupolar anisotropy and paramagnetic shift interactions via a double shearing transformation, is described. This method is particularly relevant in paramagnetic systems, where substantial inhomogeneous broadening may broaden the lineshapes. Furthermore, it possesses an advantage over the conventional processing of MQMAS and STMAS spectra since it overcomes the limitation on the spectral width in the indirect dimension imposed by rotor synchronization of the sampling interval. This method was applied experimentally to the 27 Al solid-state NMR of a series of yttrium aluminum garnets (YAGs) doped with different lanthanide ions, from which the quadrupolar parameters of paramagnetically-shifted and bulk unshifted sites were extracted. These parameters were then compared with density functional theory calculations which permitted a better understanding of the local structure of Ln substituent ions in the YAG lattice.

中文翻译：

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在固态照明荧光粉中使用 TOP-STMAS/MQMAS 分离四极和顺磁位移相互作用

描述了一种处理 STMAS 和 MQMAS 数据的新方法，该方法基于二维单脉冲 (TOP) 方法，通过双剪切变换分离二阶四极各向异性和顺磁位移相互作用。这种方法在顺磁系统中特别重要，在顺磁系统中，大量不均匀的加宽可能会加宽线形。此外，它比传统的 MQMAS 和 STMAS 光谱处理具有优势，因为它克服了采样间隔转子同步对间接维度中的光谱宽度的限制。该方法被实验应用于一系列掺杂不同镧系元素离子的钇铝石榴石 (YAG) 的 27 Al 固态核磁共振，从中提取顺磁位移和块体未位移位点的四极参数。然后将这些参数与密度泛函理论计算进行比较，从而更好地了解 YAG 晶格中 Ln 取代离子的局部结构。