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Infrared spectroscopy of hydrogen bond and substituent effects in electron donor molecules

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Abstract

The frequency shift, Δν, of the O—H stretching mode in the IR spectra of the H-complexes of phenol with electron donor molecules BXi (B is the n- or π-donor center and Xi are substituents; a total of eight series), the change in the Gibbs free energy, ΔG, due to H-complexation, and the parameter β (a measure of the ability of BXi molecules to donate an electron pair; two series) are determined by both the electrostatic interaction and charge transfer in the formation of H-complex. The Δν, ΔG, and β values depend not only on the inductive and resonance effects, but also the polarizability of substituents characterized by the σα parameters.

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Authors and Affiliations

  1. Russian Academy of Sciences, G. A. Razuvaev Institute of Organometallic Chemistry, 49 ul. Tropinina, 603600, Nizhnii Novgorod, Russian Federation

    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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Egorochkin, A.N., Kuznetsova, O.V. Infrared spectroscopy of hydrogen bond and substituent effects in electron donor molecules. Russian Chemical Bulletin 51, 961–966 (2002). https://doi.org/10.1023/A:1019649215725

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