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A quantum-chemical study of donor-acceptor properties of carboxylic acids and their anions and evaluation of the effect of these properties on geometric and spectroscopic parameters of palladium(II) carboxylates

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Abstract

Ab initio Hartree-Fock calculations of the geometries and electronic structures of saturated (including halogen-substituted), unsaturated, and aromatic carboxylic acids and their anions were performed. Factors governing the donor-acceptor power of these species were revealed. The effect of donor-acceptor properties of substituent R in the carboxylate group on the geometric and spectroscopic characteristics of carboxylates was demonstrated by the example of homoligand palladium carboxylates Pd3(μ-OCOR)6.

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Authors and Affiliations

  1. Lomonosov Moscow State Academy of Fine Chemical Technology, Moscow, Russia

    K. Yu. Monakhov

  2. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russia

    T. A. Stromnova

Authors
  1. K. Yu. Monakhov
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  2. T. A. Stromnova
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Correspondence to T. A. Stromnova.

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Original Russian Text © K.Yu. Monakhov, T.A. Stromnova, 2007, published in Zhurnal Obshchei Khimii, 2007, Vol. 77, No. 11, pp. 1841–1849.

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Monakhov, K.Y., Stromnova, T.A. A quantum-chemical study of donor-acceptor properties of carboxylic acids and their anions and evaluation of the effect of these properties on geometric and spectroscopic parameters of palladium(II) carboxylates. Russ J Gen Chem 77, 1896–1903 (2007). https://doi.org/10.1134/S1070363207110096

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  • DOI: https://doi.org/10.1134/S1070363207110096

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