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首页> 外文期刊>Journal of magnetic resonance >Single-crystal NMR approach for determining chemical shift tensors from powder samples via magnetically oriented microcrystal arrays
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Single-crystal NMR approach for determining chemical shift tensors from powder samples via magnetically oriented microcrystal arrays

机译：通过磁取向微晶阵列确定粉末样品中化学位移张量的单晶NMR方法

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The single-crystal rotation technique was applied to magnetically oriented microcrystal arrays (MOMAs) of cellobiose (monoclinic) to determine the principal values and principal axes of the chemical shift tensors of Cl and Cl' carbons. Rotations were performed about the magnetic chi 1, chi 2, and chi 3 axes of MOMA, and the measurements were taken at six different orientations with respect to the applied magnetic field. Under these rotations, crowded peaks were reduced and the peaks for the Cl and Cl' carbons were identified by comparing with simulation results. Six components of the chemical shift tensor expressed with respect to the magnetic chi 1 chi 2 chi 3-frame were determined. The tensors thus obtained were transformed into those relative to the molecular frame. (C) 2015 Elsevier Inc. All rights reserved.
机译：将单晶旋转技术应用于纤维二糖（单斜晶）的磁性取向微晶阵列（MOMA），以确定Cl和Cl'碳的化学位移张量的主轴和主轴。绕MOMA的磁chi 1轴，chi 2轴和chi 3轴进行旋转，并且相对于所施加的磁场在六个不同的方向上进行测量。在这些旋转下，拥挤的峰减少了，并且通过与模拟结果比较，确定了Cl和Cl'碳的峰。确定相对于磁chi 1 chi 2 chi 3框架表示的化学位移张量的六个分量。由此获得的张量被转换为相对于分子框架的张量。 （C）2015 Elsevier Inc.保留所有权利。

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