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首页> 外文期刊>The Journal of Chemical Physics >The magnetic field dependence of cross-effect dynamic nuclear polarization under magic angle spinning
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The magnetic field dependence of cross-effect dynamic nuclear polarization under magic angle spinning

机译:幻角旋转下交叉效应动态核极化的磁场依赖性

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摘要

We develop a theoretical description of Dynamic Nuclear Polarization (DNP) in solids under Magic Angle Spinning (MAS) to describe the magnetic field dependence of the DNP effect. The treatment is based on an efficient scheme for numerical solution of the Liouville-von Neumann equation, which explicitly takes into account the variation of magnetic interactions during the sample spinning. The dependence of the cross-effect MAS-DNP on various parameters, such as the hyperfine interaction, electron-electron dipolar interaction, microwave field strength, and electron spin relaxation rates, is analyzed. Electron spin relaxation rates are determined by electron paramagnetic resonance measurements, and calculations are compared to experimental data. Our results suggest that the observed nuclear magnetic resonance signal enhancements provided by MAS-DNP can be explained by discriminating between "bulk" and "core" nuclei and by taking into account the slow DNP build-up rate for the bulk nuclei. (C) 2015 AIP Publishing LLC.
机译:我们开发了在魔角旋转(MAS)下描述固体中动态核极化(DNP)的理论描述,以描述DNP效应的磁场依赖性。该处理基于有效的Liouville-von Neumann方程数值解方案,该方案明确考虑了样品旋转过程中磁相互作用的变化。分析了交叉效应MAS-DNP对各种参数的依赖性,例如超精细相互作用,电子-电子偶极相互作用,微波场强度和电子自旋弛豫率。电子自旋弛豫速率由电子顺磁共振测量确定,并将计算结果与实验数据进行比较。我们的结果表明,MAS-DNP所提供的观察到的核磁共振信号增强可以通过区分“体”核和“核心”核并考虑到大核的缓慢DNP积累速率来解释。 (C)2015 AIP Publishing LLC。

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