EPR study of NO radicals encased in modified open C<sub>60</sub> fullerenes

Author:

Dinse Klaus-PeterORCID,Kato TatsuhisaORCID,Hasegawa Shota,Hashikawa YoshifumiORCID,Murata Yasujiro,Bittl RobertORCID

Abstract

Abstract. Using pulsed electron paramagnetic resonance (EPR) techniques, the low-temperature magnetic properties of the NO radical being confined in two different modified open C60-derived cages are determined. It is found that the smallest principal g value g3, being assigned to the axis of the radical, deviates strongly from the free electron value. This behaviour results from partial compensation of the spin and orbital contributions to the g3 value. The measured g3 values in the range of 0.7 yield information about the deviation of the locking potential for the encaged NO from axial symmetry. The estimated 17 meV asymmetry is quite small compared to the situation found for the same radical in polycrystalline or amorphous matrices ranging from 300 to 500 meV. The analysis of the temperature dependence of spin relaxation times resulted in an activation temperature of about 3 K, assigned to temperature-activated motion of the NO within the modified open C60-derived cages with coupled rotational and translational degrees of freedom in a complicated three-dimensional locking potential.

Publisher

Copernicus GmbH

Subject

General Medicine

Reference27 articles.

1. Bloodworth, S., Sitinova, G., Alom, S., Vidal, S., Bacanu, G. R., Elliott, S. J., Light, M. E., Herniman, J. M., Langley, G. J., Levitt, M. H., and Whitby, R. J.: First Synthesis and Characterization of CH4@C-60, Angew. Chem. Int. Edit., 58, 5038–5043, 2019. a

2. Chiesa, M., Giamello, E., and Che, M.: EPR Characterization and Reactivity of Surface-Localized Inorganic Radicals and Radical Ions, Chem. Rev., 110, 1320–1347, 2010. a

3. Dinse, K.-P., Kato, T., Hasegawa, S., Hashikawa, Y., Murata, Y., and Bittl, R.: Experimental data set and further information, Refubium – Freie Universität Berlin Repository, https://doi.org/10.17169/refubium-27870, 2020. a

4. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Scalmani, G., Barone, V., Petersson, G. A., Nakatsuji, H., Li, X., Caricato, M., Marenich, A. V., Bloino, J., Janesko, B. G., Gomperts, R., Mennucci, B., Hratchian, H. P., Ortiz, J. V., Izmaylov, A. F., Sonnenberg, J. L., Williams-Young, D., Ding, F., Lipparini, F., Egidi, F., Goings, J., Peng, B., Petrone, A., Henderson, T., Ranasinghe, D., Zakrzewski, V. G., Gao, J., Rega, N., Zheng, G., Liang, W., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Throssell, K., Montgomery, Jr., J. A., Peralta, J. E., Ogliaro, F., Bearpark, M. J., Heyd, J. J., Brothers, E. N., Kudin, K. N., Staroverov, V. N., Keith, T. A., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A. P., Burant, J. C., Iyengar, S. S., Tomasi, J., Cossi, M., Millam, J. M., Klene, M., Adamo, C., Cammi, R., Ochterski, J. W., Martin, R. L., Morokuma, K., Farkas, O., Foresman, J. B., and Fox, D. J.: Gaussian 16 Revision A.03, Gaussian Inc., Wallingford, CT, USA, 2016. a

5. Futagoishi, T., Aharen, T., Kato, T., Kato, A., Ihara, T., Tada, T., Murata, M., Wakamiya, A., Kageyama, H., Kanemitsu, Y., and Murata, Y.: A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State, Angew. Chem. Int. Edit., 56, 4261–4267, 2017. a, b

Cited by 5 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3