“Nutation” of electron spins in biradicals

IF 2 3区 化学 Q3 BIOCHEMICAL RESEARCH METHODS
{"title":"“Nutation” of electron spins in biradicals","authors":"","doi":"10.1016/j.jmr.2024.107790","DOIUrl":null,"url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":16267,"journal":{"name":"Journal of magnetic resonance","volume":null,"pages":null},"PeriodicalIF":2.0000,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of magnetic resonance","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1090780724001745","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
引用次数: 0

Abstract

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.

Abstract Image

双拉子中电子自旋的 "突变"。
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。
求助全文
约1分钟内获得全文 求助全文
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信