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Specific Features of the Intramolecular Spin Exchange in a Novel Nitroxide Triradical

  • STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, AND SPECTROSCOPY
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Abstract

An X-band EPR spectroscopic study was performed of the temperature dependence of the dynamics of the intramolecular electron spin exchange in a triradical where the radical rings are linked by acetylene groups –C≡C–. A thermodynamic characteristic was determined for the conformational transition in the triradical between conformers where the spin exchange is of the triradical or biradical type. The geometric structure of the novel stable nitroxide triradical was determined using density functional theory calculations.

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ACKNOWLEDGMENTS

We thank Professor A.Kh. Vorob’ev from the Chemical Faculty of Lomonosov Moscow State University, Moscow, Russia, for providing the software we used to calculate EPR spectra.

Funding

The work of one of the authors (T. Kálai) was supported by the European Union (grant GINOP-2.3.2-15-2016-00049).

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Authors and Affiliations

  1. Semenov Institute of Chemical Physics, Russian Academy of Sciences, 119991, Moscow, Russia

    A. I. Kokorin

  2. Plekhanov Russian University of Economics, 117997, Moscow, Russia

    A. I. Kokorin & A. E. Putnikov

  3. Lomonosov Moscow State University, 119991, Moscow, Russia

    O. I. Gromov

  4. Institute of Organic and Medicinal Chemistry, Medical School, University of Pécs, 7624, Pécs, Hungary

    T. Kálai

  5. Szentágothai Research Center, 7624, Pécs, Hungary

    T. Kálai & K. Hideg

Authors
  1. A. I. Kokorin
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  2. O. I. Gromov
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  3. T. Kálai
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  4. K. Hideg
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  5. A. E. Putnikov
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Corresponding author

Correspondence to A. I. Kokorin.

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Translated by V. Glyanchenko

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Kokorin, A.I., Gromov, O.I., Kálai, T. et al. Specific Features of the Intramolecular Spin Exchange in a Novel Nitroxide Triradical. Russ. J. Phys. Chem. B 13, 739–743 (2019). https://doi.org/10.1134/S1990793119050178

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  • DOI: https://doi.org/10.1134/S1990793119050178

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