双拉子中电子自旋的 "突变"。

IF 2 3区 化学 Q3 BIOCHEMICAL RESEARCH METHODS Journal of magnetic resonance Pub Date : 2024-10-18 DOI:10.1016/j.jmr.2024.107790
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摘要

在这项研究中,我们通过实验研究了双甲氧基[60]富勒烯的亚硝基双自由基中未配对电子自旋的突变。研究发现,在很宽的微波场功率范围内,都能找到突变频率。为了解释所获得的结果,针对一对未成对电子的自旋-自旋相互作用的一组参数以及微波场的不同拉比频率值,对双辐射根的突变进行了数值计算。在将数值结果与实验数据进行比较时,我们还使用了对某些模型情况进行的自转分析计算结果。在分析了换向实验数据后,我们得到了所研究双拉子交换和偶极-偶极相互作用的估计值。这些结果与分析特定双拉子的 EPR 光谱形状所得到的结果是一致的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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“Nutation” of electron spins in biradicals
In this work, the nutation of the spins of unpaired electrons in the nitroxide biradical of bis‑methano[60]fullerene was experimentally studied. Nutation frequencies were found in a wide range of microwave field power. To interpret the obtained results, numerical calculations of the nutation of biradicals were carried out for a set of parameters of the spin–spin interaction of a pair of unpaired electrons and for different values of the Rabi frequency of the microwave field. At comparing numerical results with experimental data, we also used the results of analytical calculations of nutation for some model situations. As a result of the analysis of experimental data on nutation, an estimate of the exchange and dipole–dipole interactions for the studied biradical was obtained. They are consistent with the results obtained from analysis of the shape of the EPR spectrum for a given biradical.
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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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