核双极场在分子间传递相干性的各个方面。

Q3 Physics and Astronomy
Magnetic resonance (Gottingen, Germany) Pub Date : 2023-12-21 eCollection Date: 2023-01-01 DOI:10.5194/mr-4-271-2023
Philippe Pelupessy
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引用次数: 0

摘要

人们很早就认识到,偶极场可以介导分子间相干性从丰富溶剂到稀疏溶质自旋的转移。一般来说,偶极场是在长时间的自由前向延迟过程中发挥作用的。最近,我们已经证明,在用于全相关光谱分析的合适的不间断射频脉冲串中也会发生转移。在此,我们将扩展后一项工作。首先,我们推导出了溶剂磁化在连续辐照和偶极场影响下的演变分析表达式。这些表达式有助于模拟转移过程。然后,介绍了在不均匀磁场中检索高分辨率光谱的脉冲序列,以及另一种检测分子间双量子相干转移的序列。最后,还讨论了通过多个选择性射频脉冲和不同方向的脉冲磁场梯度组合来调制磁化的各种方案。在这些方案中,对磁化的操纵方式是将源自单自旋物种的偶极场分解为两个分量。每个分量都来自于被调制在不同方向上的磁化部分。这两个部分可以独立但同时介导相干性的分子间转移。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Various facets of intermolecular transfer of phase coherence by nuclear dipolar fields.

It has long been recognized that dipolar fields can mediate intermolecular transfer of phase coherence from abundant solvent to sparse solute spins. Generally, the dipolar field has been considered while acting during prolonged free-precession delays. Recently, we have shown that transfer can also occur during suitable uninterrupted radio frequency pulse trains that are used for total correlation spectroscopy. Here, we will expand upon the latter work. First, analytical expressions for the evolution of the solvent magnetization under continuous irradiation and the influence of the dipolar field are derived. These expressions facilitate the simulations of the transfer process. Then, a pulse sequence for the retrieval of high-resolution spectra in inhomogeneous magnetic fields is described, along with another sequence to detect a transfer from an intermolecular double-quantum coherence. Finally, various schemes are discussed where the magnetization is modulated by a combination of multiple selective radio frequency pulses and pulsed field gradients in different directions. In these schemes, the magnetization is manipulated in such a way that the dipolar field, which originates from a single-spin species, can be decomposed into two components. Each component originates from a part of the magnetization that is modulated in a different direction. Both can independently, but simultaneously, mediate an intermolecular transfer of phase coherence.

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来源期刊
CiteScore
4.50
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