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Polarization effect in radical cations and H-complexes

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Abstract

The effect of substituents X on the ionization potentials IP (process DX + hν ➙ D+·X + e) and shifts in vibration frequencies Δν of ν(OH) in the IR spectra of phenol complexes PhO-H + DX ⇄ PhOδ−-H…Dδ+X for nine series of DX molecules were studied. On compiling with three conditions (a constant donor center D; the electron density donation only from D and not from X; a constant sampling size within each series) it was possible to compare the polarization effect in D+·X and Dδ+X. In the radical cations D+·X the polarization effect is on the average 2.2 times larger than in the systems Dδ+X. The systems D+·X and Dδ+X are virtually indistinguishable with respect to the external delocalization of the positive charge.

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Authors and Affiliations

  1. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhnii Novgorod, 603950, Russia

    A. N. Egorochkin & O. V. Kuznetsova

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  1. A. N. Egorochkin
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  2. O. V. Kuznetsova
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Correspondence to A. N. Egorochkin.

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Original Russian Text © A.N. Egorochkin, O.V. Kuznetsova, 2006, published in Zhurnal Organicheskoi Khimii, 2006, Vol. 42, no. 2, pp. 192–199.

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Egorochkin, A.N., Kuznetsova, O.V. Polarization effect in radical cations and H-complexes. Russ J Org Chem 42, 175–182 (2006). https://doi.org/10.1134/S1070428002120035

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  • DOI: https://doi.org/10.1134/S1070428002120035

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