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Nitronyl Nitroxyl Diradical with Pyrene Backbone: Synthesis, Quantum Chemical and X/Q-Band EPR Study 以芘为骨架的硝基氮氧二拉环：合成、量子化学和 X/Q 波段 EPR 研究
IF 1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-22 DOI: 10.1007/s00723-024-01703-6
Igor A. Zayakin, Ivan V. Kurganskii, Ashok Keerthi, Martin Baumgarten, Alexey A. Dmitriev, Nina. P. Gritsan, Svyatoslav E. Tolstikov, Renad Z. Sagdeev, Alexander A. Korlyukov, Evgeny V. Tretyakov, Matvey V. Fedin
{"title":"Nitronyl Nitroxyl Diradical with Pyrene Backbone: Synthesis, Quantum Chemical and X/Q-Band EPR Study","authors":"Igor A. Zayakin, Ivan V. Kurganskii, Ashok Keerthi, Martin Baumgarten, Alexey A. Dmitriev, Nina. P. Gritsan, Svyatoslav E. Tolstikov, Renad Z. Sagdeev, Alexander A. Korlyukov, Evgeny V. Tretyakov, Matvey V. Fedin","doi":"10.1007/s00723-024-01703-6","DOIUrl":"https://doi.org/10.1007/s00723-024-01703-6","url":null,"abstract":"<p>We report the synthesis and EPR and quantum chemical study of a new nitronyl nitroxyl diradical with a pyrene backbone. EPR at the X- and Q-bands indicates weak dipolar coupling between electron spins, the magnitude of which is comparable to hyperfine interactions in nitronyl nitroxide moieties. Quantum chemical calculations predict weak ferromagnetic interaction between radical fragments, which is nevertheless large on the EPR scale. Using additional Q-band measurements on the reference monoradical to accurately determine the g- and A-tensor components and results of quantum chemical calculations, the X/Q-band spectra of the diradical were satisfactorily modelled using a <i>D</i>-value of 82 MHz. The spectroscopic information obtained can be useful in the design of polyradical systems with similar backbones.</p>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"66 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Current Trends in VCO-Based EPR 基于 VCO 的 EPR 的当前趋势
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-19 DOI: 10.1007/s00723-024-01698-0
Michal Kern, Anh Chu, Jens Anders
{"title":"Current Trends in VCO-Based EPR","authors":"Michal Kern,&nbsp;Anh Chu,&nbsp;Jens Anders","doi":"10.1007/s00723-024-01698-0","DOIUrl":"10.1007/s00723-024-01698-0","url":null,"abstract":"<div><p>In this article we provide an overview of chip-integrated voltage-controlled oscillator (VCO)-based EPR detection as a new paradigm in EPR sensing. After a brief motivation for this alternative detection method, we provide a self-contained overview of the detection principle, both for continuous-wave and pulsed detection. Based on this introduction, we will highlight the advantages and disadvantages of VCO-based detection compared to conventional resonator-based detection. This is followed by an overview of the current state of the art in VCO-based EPR and interesting emerging applications of the technology. The paper concludes with a brief summary and outlook on future research directions.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1065 - 1089"},"PeriodicalIF":1.1,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-024-01698-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spin-dependent crystal field on f-electrons as a consequence of spin–orbit coupling renormalization due to exchange-covalent bonds with ligands 配体交换共价键导致的自旋轨道耦合重正化对 f 电子产生的自旋依赖性晶体场
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-16 DOI: 10.1007/s00723-024-01701-8
M. V. Eremin
{"title":"Spin-dependent crystal field on f-electrons as a consequence of spin–orbit coupling renormalization due to exchange-covalent bonds with ligands","authors":"M. V. Eremin","doi":"10.1007/s00723-024-01701-8","DOIUrl":"10.1007/s00723-024-01701-8","url":null,"abstract":"<div><p>The problem of renormalization of the spin–orbit interaction operator of electrons of partially filled nf-shells due to exchange-covalent bonds with surrounding ligands has been solved. It is found that along with the change of the standard spin–orbit interaction parameter, new energy operators are generated, which can be interpreted as a spin-dependent crystal field operator. Simple formulas are obtained that allows to calculate its parameters via covalence parameters and overlap integrals. Numerical evaluations have been performed for multiplets <span>(Tb^{3 + } (f^{8} ){}^{7}F_{6})</span> and <span>(Er^{3 + } (f^{11} ){}^{4}I_{15/2})</span> in fluorides with cubic symmetry. Calculated parameters were found to be of the order of 10% relative to the standard crystal field parameters.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1233 - 1239"},"PeriodicalIF":1.1,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
ESR in the Czech Republic, its Historical Overview, Current Status, and Future 捷克共和国的 ESR 及其历史概况、现状和未来
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-12 DOI: 10.1007/s00723-024-01696-2
Jan Dubský, Ladislav Omelka, Jan Pilař, Ján Tarábek, Jiří Klíma, Michal Horáček, Pavel Stopka, Miloš Jirsa, Radovan Fiala, Giorgio Zoppellaro, Zdeněk Baďura, Josef Dadok, Petr Neugebauer
{"title":"ESR in the Czech Republic, its Historical Overview, Current Status, and Future","authors":"Jan Dubský,&nbsp;Ladislav Omelka,&nbsp;Jan Pilař,&nbsp;Ján Tarábek,&nbsp;Jiří Klíma,&nbsp;Michal Horáček,&nbsp;Pavel Stopka,&nbsp;Miloš Jirsa,&nbsp;Radovan Fiala,&nbsp;Giorgio Zoppellaro,&nbsp;Zdeněk Baďura,&nbsp;Josef Dadok,&nbsp;Petr Neugebauer","doi":"10.1007/s00723-024-01696-2","DOIUrl":"10.1007/s00723-024-01696-2","url":null,"abstract":"<div><p>The development of magnetic resonance methods (ESR, NMR, and FMR), which took place on a global scale after the discovery of the magnetic resonance effect in the 1940s, began to have a significant impact on research in the chemical and physical sciences in Czechoslovakia in the 1950s. Over the years, several laboratories were established at universities and workplaces of Academy of Sciences, using resonance methods to solve problems of a predominantly chemical nature. In addition to NMR spectroscopy, the application of resonance methods to the investigation of paramagnetic particles, mainly free radicals and transition metal complexes, has become prominent. An essential factor in the development of ESR spectroscopy was the gradual improvement in the quality of the instrumentation available in the second half of the 1960s, mainly through the purchase of commercial spectrometers (Varian, Bruker, JEOL). This trend has continued to the present day. The submitted paper is based on the information obtained from people in various departments who have been active or are still active in ESR spectroscopy. At the same time, the contributions of several researchers who are no longer alive are mentioned. In 1993, Czechoslovakia was divided into the Czech and Slovak Republics. This article primarily describes the history of the development of ESR spectroscopy in the present Czech Republic. At the same time, it should be mentioned that the friendly cooperation between Czech and Slovak ESR workplaces continues to benefit both sides.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1047 - 1064"},"PeriodicalIF":1.1,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Selected Current Applications of Nuclear Magnetic Resonance 核磁共振当前的部分应用
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-10 DOI: 10.1007/s00723-024-01697-1
V. I. Chizhik, M. S. Tagirov
{"title":"Selected Current Applications of Nuclear Magnetic Resonance","authors":"V. I. Chizhik,&nbsp;M. S. Tagirov","doi":"10.1007/s00723-024-01697-1","DOIUrl":"10.1007/s00723-024-01697-1","url":null,"abstract":"","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 8","pages":"737 - 740"},"PeriodicalIF":1.1,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141919348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Temperature Dependence of the Electron Spin–Lattice Relaxation Time of Vanadyl Porphyrins in Asphaltenes from the Ashalcha Oilfield 阿夏尔查油田沥青质中钒基卟啉的电子自旋-晶格弛豫时间的温度依赖性
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-10 DOI: 10.1007/s00723-024-01700-9
Larisa R. Latypova, Irek I. Mukhamatdinov, Alexander A. Rodionov, Darya V. Shurtakova, Marat R. Gafurov
{"title":"Temperature Dependence of the Electron Spin–Lattice Relaxation Time of Vanadyl Porphyrins in Asphaltenes from the Ashalcha Oilfield","authors":"Larisa R. Latypova,&nbsp;Irek I. Mukhamatdinov,&nbsp;Alexander A. Rodionov,&nbsp;Darya V. Shurtakova,&nbsp;Marat R. Gafurov","doi":"10.1007/s00723-024-01700-9","DOIUrl":"10.1007/s00723-024-01700-9","url":null,"abstract":"<div><p>Oil asphaltenes are known as the <i>cholesterol of petroleum</i> because of their ability to precipitate, deposit, and interrupt the continuous production of oil from underground reservoirs. Studies of asphaltenes by various analytical techniques allow fundamental understanding of their structure for optimizing the processes of geologic exploration and enhanced oil recovery. The purpose of this work is to analyze the temperature dependences of the electron relaxation times of the intrinsic for oil asphaltenes paramagnetic vanadyl-porphyrin (VP) complexes. Asphaltenes from the viscous Ashalcha oil (2500 mPa·s) were investigated using pulsed electron paramagnetic resonance (EPR) techniques at X-band (9 GHz) in the temperature range <i>T</i> = 10–300 K. It is found that at <i>T</i> &gt; 100 K electron spin–lattice (longitudinal) relaxation rate obeys the power law <i>T</i><sup><i>n</i></sup> with <i>n</i> ≈ 3.0 while at <i>T</i> &lt; 100 K direct relaxation process is more effective. An attempt to describe the relaxation data in the frameworks of the solid-state Debye model and fractal model are done. These models have little applicability to the type of asphaltenes studied.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1221 - 1232"},"PeriodicalIF":1.1,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141919878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
EPR at 80: Carotenoid Radical Cation Detection 80 波长的 EPR：类胡萝卜素自由基阳离子检测
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-09 DOI: 10.1007/s00723-024-01691-7
A. Ligia Focsan, Lowell D. Kispert
{"title":"EPR at 80: Carotenoid Radical Cation Detection","authors":"A. Ligia Focsan,&nbsp;Lowell D. Kispert","doi":"10.1007/s00723-024-01691-7","DOIUrl":"10.1007/s00723-024-01691-7","url":null,"abstract":"<div><p>Electron Paramagnetic Resonance (EPR) has proven to be a powerful research tool in the study of carotenoid radicals providing detailed information on their structure, stability, and biological functions. Previously published simultaneous electrochemical and EPR<b> (</b>SEEPR) and high-field/high-frequency (HFEPR) experiments in vitro performed by Kispert’s group and in collaboration with National High Magnetic Field Laboratory (NHMFL) for the HFEPR measurements, were extremely helpful in elucidating the structure of the carotenoid radical cation and obtaining EPR parameters for carotenoids that were further used in the literature for comparison with parameters obtained for in vivo experiments.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1031 - 1046"},"PeriodicalIF":1.1,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00723-024-01691-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141924117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Proposal of Gradient Coil Configuration for Low-Field Magnetic Resonance Imaging 低场磁共振成像梯度线圈配置建议
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-09 DOI: 10.1007/s00723-024-01682-8
Alexander Fedotov, Vladimir Pugovkin, Denis Burov, Anna Hurshkainen, Carlos Cabal Mirabal
{"title":"A Proposal of Gradient Coil Configuration for Low-Field Magnetic Resonance Imaging","authors":"Alexander Fedotov,&nbsp;Vladimir Pugovkin,&nbsp;Denis Burov,&nbsp;Anna Hurshkainen,&nbsp;Carlos Cabal Mirabal","doi":"10.1007/s00723-024-01682-8","DOIUrl":"10.1007/s00723-024-01682-8","url":null,"abstract":"<div><p>The design of gradient coils for low-field permanent magnets faces several challenges. The spatial constraints and eddy currents, concomitant gradient mutual inductances, as well as patient heating are significant challenges to gradient coil design. This study introduces a coil configuration to address these challenges. Particularly, a gradient coil configuration has been developed and studied for portable low-field MRI for the human head. The system consist of the non-local coils for the <i>Y</i> axis gradient and the local cylindrical coils for the <i>X</i> and <i>Z</i> axis gradients. Configuration of the system increases free space within the magnet while enhancing gradient efficiency and linearity. The calculation results of the numerically simulated gradient configuration achieves competitive gradient efficiency and linearity, being able to reduce eddy currents, mutual inductance and heating effects relative to traditional coils. This alternative gradient coil design presents a promising solution for low-field magnetic resonance imaging.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 8","pages":"767 - 774"},"PeriodicalIF":1.1,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141922178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Magnetic Resonance of Excited States in Semiconductors and Related Nanostructures 半导体及相关纳米结构中激发态的磁共振
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-06 DOI: 10.1007/s00723-024-01695-3
Pavel G. Baranov, Roman A. Babunts, Nikolai G. Romanov
{"title":"Magnetic Resonance of Excited States in Semiconductors and Related Nanostructures","authors":"Pavel G. Baranov,&nbsp;Roman A. Babunts,&nbsp;Nikolai G. Romanov","doi":"10.1007/s00723-024-01695-3","DOIUrl":"10.1007/s00723-024-01695-3","url":null,"abstract":"<div><p>Electron and nuclear spins in solids, coherently coupled to photons, provide promising resources for quantum information processing and sensing. Obtaining information about short-lived excited states is critical for realizing ultrafast all-optical spin control methods. After a brief review of early magnetic resonance studies of excited states, the following representative examples of the use of magnetic resonance spectroscopy to study excited states in wide-gap materials, semiconductors and nanostructures based on them will be considered: (1) optically detected magnetic resonance (ODMR), electron spin echo, electron-nuclear double resonance in the excited state on the example of self-trapped excitons in ionic-covalent silver halide crystals and nanocrystals, (2) ODMR and level anticrossing (LAC) spectroscopy of localized heavy-hole excitons in semiconductor quantum wells and superlattices, (3) LAC and ODMR in excited states of spin centers in diamond and silicon carbide, (4) the use of LAC and cross-relaxation for all-optical sensing with submicron spatial resolution.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1011 - 1030"},"PeriodicalIF":1.1,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141936227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
EPR Studies of Rare-Earth Manganites La0.7−xEuxSr0.3MnO3 (x = 0.1–0.7) 稀土锰矿 La0.7-xEuxSr0.3MnO3 (x = 0.1-0.7) 的 EPR 研究
IF 1.1 4区 物理与天体物理
Applied Magnetic Resonance Pub Date : 2024-08-06 DOI: 10.1007/s00723-024-01694-4
I. Yatsyk, D. V. Mamedov, A. V. Shestakov, I. I. Fazlizhanov, R. M. Eremina, S. I. Andronenko, A. V. Pyataev, S. Vadnala, S. Asthana, S. K. Misra
{"title":"EPR Studies of Rare-Earth Manganites La0.7−xEuxSr0.3MnO3 (x = 0.1–0.7)","authors":"I. Yatsyk,&nbsp;D. V. Mamedov,&nbsp;A. V. Shestakov,&nbsp;I. I. Fazlizhanov,&nbsp;R. M. Eremina,&nbsp;S. I. Andronenko,&nbsp;A. V. Pyataev,&nbsp;S. Vadnala,&nbsp;S. Asthana,&nbsp;S. K. Misra","doi":"10.1007/s00723-024-01694-4","DOIUrl":"10.1007/s00723-024-01694-4","url":null,"abstract":"<div><p>The Europium rare-earth manganites, La<sub>0.7−<i>x</i></sub>Eu<sub><i>x</i></sub>Sr<sub>0.3</sub>MnO<sub>3</sub> (<i>x</i> = 0.0–0.7), were investigated by the technique of X-band electron paramagnetic resonance (EPR) in the temperature range from 30 to 500 K. As the temperature was lowered, the various samples made transitions from paramagnetic to ferromagnetic phases. Furthermore, coexistence of anywhere from two to three ferromagnetic phases in the various samples was found. The third ferromagnetic phase was observed only in the samples with <i>x</i> = 0.1, 0.2, 0.3. The Curie temperatures for the various samples were estimated from the characteristics of the variable-temperature EPR spectra. The EPR data indicated the presence of Griffiths phases in the samples with <i>x</i> = 0.2, 0.3, 0.4, 0.5, 0.6, from which the respective Griffiths temperatures were determined. The activation energies were estimated here from the EPR data using the hopping model. The EPR linewidth behavior is found to be consistent with that predicted by the bottlenecked spin-relaxation model. The perovskite La<sub>0.5</sub>Eu<sub>0.2</sub>Sr<sub>0.3</sub>MnO<sub>3</sub> is potentially useful in the design of magnetocaloric refrigeration units as a working fluid, since its Curie temperature <i>T</i><sub>C</sub> is found to be close to the room temperature. The various ferromagnetic components in the samples observed here have been resolved only by the technique of EPR, not possible by other techniques.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"55 9","pages":"1199 - 1219"},"PeriodicalIF":1.1,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141936229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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