Impact of Zeeman and hyperfine interactions on the magnetic properties of paramagnetic metal ions: II. Super-hyperfine interactions with surrounding nuclei

IF 2 3区 化学 Q3 BIOCHEMICAL RESEARCH METHODS Journal of magnetic resonance Pub Date : 2024-07-06 DOI:10.1016/j.jmr.2024.107732
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Abstract

The anisotropic Zeeman and strong hyperfine interactions of a Kramers ion can significantly affect its magnetic properties as well as the interactions with the nearby nuclei. The interactions with the local environment are described in the preceding article. In the current work, the change of the spin states of distant nuclei is studied. Analytical expressions describing the depth of the electron spin echo envelope modulation (ESEEM) are obtained for the ions with anisotropic Zeeman and strong hyperfine interactions. Due to the g-tensor anisotropy, the electron Zeeman interaction axis is tilted in respect to the direction of the external magnetic field which makes non-collinear with the Zeeman interaction axes of the ion and the nearby nuclei and significantly modifies the nuclear spin states. Thus, the isotropic hyperfine interaction, and particularly the Fermi contact interaction can directly contribute to the ESEEM. An additional factor, that can significantly modify the ESEEM signal is the mixing of the multiple oscillations arising when several nuclei occur in optimal conditions for the generation of the nuclear coherence. This situation arises when several EPR transitions of the ion covering a wide range of magnetic fields are examined.

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泽曼和超细相互作用对顺磁性金属离子磁性能的影响:II.与周围原子核的超超细相互作用
克拉默离子的各向异性泽曼相互作用和强超频相互作用会极大地影响其磁性以及与附近原子核的相互作用。与本地环境的相互作用在前一篇文章中有所描述。在当前的工作中,我们研究了远处原子核自旋态的变化。对于具有各向异性泽曼和强超频相互作用的离子,得到了描述电子自旋回波包络调制(ESEEM)深度的分析表达式。由于 g 张量的各向异性,电子的泽曼相互作用轴相对于外部磁场的方向是倾斜的,这使得它与离子和附近原子核的泽曼相互作用轴不共线,并极大地改变了核自旋态。因此,各向同性超正弦相互作用,特别是费米接触相互作用会直接导致 ESEEM。能显著改变 ESEEM 信号的另一个因素是,当多个原子核在产生核相干的最佳条件下发生时,会产生多重振荡混合。这种情况出现在对覆盖磁场范围很广的离子的多个 EPR 转变进行检验时。
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来源期刊
CiteScore
3.80
自引率
13.60%
发文量
150
审稿时长
69 days
期刊介绍: The Journal of Magnetic Resonance presents original technical and scientific papers in all aspects of magnetic resonance, including nuclear magnetic resonance spectroscopy (NMR) of solids and liquids, electron spin/paramagnetic resonance (EPR), in vivo magnetic resonance imaging (MRI) and spectroscopy (MRS), nuclear quadrupole resonance (NQR) and magnetic resonance phenomena at nearly zero fields or in combination with optics. The Journal''s main aims include deepening the physical principles underlying all these spectroscopies, publishing significant theoretical and experimental results leading to spectral and spatial progress in these areas, and opening new MR-based applications in chemistry, biology and medicine. The Journal also seeks descriptions of novel apparatuses, new experimental protocols, and new procedures of data analysis and interpretation - including computational and quantum-mechanical methods - capable of advancing MR spectroscopy and imaging.
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