Dependence of electron paramagnetic resonance spectral lineshapes on molecular tumbling: Nitroxide radical in water:glycerol mixtures

IF 0.4 4区 化学 Q4 CHEMISTRY, PHYSICAL
Ashley Clark, Jessica Sedhom, Hanan Elajaili, Gareth R. Eaton, Sandra S. Eaton
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引用次数: 11

Abstract

Electron paramagnetic resonance spectra of nitroxide radicals are reporters of molecular tumbling correlation times. The concepts of electron paramagnetic resonance and molecular tumbling are demonstrated by examination of spectra of the radical tempol (4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl) in water:glycerol mixtures. Analysis of the spectral line shapes with the Kivelson model and computer simulation with EasySpin are discussed. Values of the tumbling correlation times obtained by the two methods are shown to be in good agreement. Comparison of the experimental tumbling correlation times with values calculated with the Stokes-Einstein model indicates a slip coefficient of 0.066, which is consistent with other reports for nitroxides in various solvents.

电子顺磁共振谱线形状对分子翻滚的依赖性:水中的氮氧化物自由基:甘油混合物
氮氧化物自由基的电子顺磁共振谱是分子翻滚相关次数的记录者。电子顺磁共振和分子翻滚的概念是通过检查自由基tempol(4-羟基-2,2,6,6-四甲基哌啶-1-氧)在水:甘油混合物中的光谱证明。讨论了用Kivelson模型分析光谱线形状和用EasySpin进行计算机模拟。两种方法得到的翻滚相关次数值吻合较好。实验翻滚相关次数与Stokes-Einstein模型计算值的比较表明,滑移系数为0.066,这与其他关于各种溶剂中氮氧化物的报道一致。
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来源期刊
CiteScore
0.90
自引率
0.00%
发文量
12
审稿时长
>12 weeks
期刊介绍: Concepts in Magnetic Resonance Part A brings together clinicians, chemists, and physicists involved in the application of magnetic resonance techniques. The journal welcomes contributions predominantly from the fields of magnetic resonance imaging (MRI), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR), but also encourages submissions relating to less common magnetic resonance imaging and analytical methods. Contributors come from academic, governmental, and clinical communities, to disseminate the latest important experimental results from medical, non-medical, and analytical magnetic resonance methods, as well as related computational and theoretical advances. Subject areas include (but are by no means limited to): -Fundamental advances in the understanding of magnetic resonance -Experimental results from magnetic resonance imaging (including MRI and its specialized applications) -Experimental results from magnetic resonance spectroscopy (including NMR, EPR, and their specialized applications) -Computational and theoretical support and prediction for experimental results -Focused reviews providing commentary and discussion on recent results and developments in topical areas of investigation -Reviews of magnetic resonance approaches with a tutorial or educational approach
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