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Intramolecular Dynamics of the 1,2,4-Trifluorobenzene Radical Anion: An Optically Detected EPR and Quantum Chemistry Study

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Abstract

A previously unknown electron paramagnetic resonance (EPR) spectrum of the 1,2,4-trifluorobenzene radical anion in liquid solution in nonpolar solvent has been obtained by means of the optically detected EPR technique. On the basis of quantum chemical calculations, the observed fluorine hyperfine coupling values and their temperature dependence have been interpreted as a consequence of fast conformational exchange among different nonplanar structures.

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Acknowledgments

The work was supported by “Support of leading scientific schools” program (grant NS-4249.2010.3) and by Russian Foundation for Basic Researches (grant 08-03-00495).

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Authors and Affiliations

  1. Institute of Chemical Kinetics and Combustion, Siberian Branch of Russian Academy of Science, 3 Institutskaya Str., Novosibirsk, 630090, Russia

    S. V. Blinkova, M. M. Vyushkova, V. A. Bagryansky & Yu. N. Molin

  2. N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Siberian Branch of Russian Academy of Science, 9 Lavrentiev Ave., Novosibirsk, 630090, Russia

    L. N. Shchegoleva & I. V. Beregovaya

Authors
  1. S. V. Blinkova
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  2. L. N. Shchegoleva
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  3. I. V. Beregovaya
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  4. M. M. Vyushkova
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  5. V. A. Bagryansky
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  6. Yu. N. Molin
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Correspondence to S. V. Blinkova.

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Blinkova, S.V., Shchegoleva, L.N., Beregovaya, I.V. et al. Intramolecular Dynamics of the 1,2,4-Trifluorobenzene Radical Anion: An Optically Detected EPR and Quantum Chemistry Study. Appl Magn Reson 41, 229–238 (2011). https://doi.org/10.1007/s00723-011-0265-x

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  • DOI: https://doi.org/10.1007/s00723-011-0265-x

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