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Extended angular overlap model in the structure theory of transition metal complexes. Basic principles

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Abstract

A new, augmented and extended version of the angular overlap model was developed. In the extended model, expressions for the energies and wavefunctions of antibonding and bonding orbitals were derived with consideration to the sd and pd mixing effects. Practical application of the developed model was illustrated with simple examples.

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Authors and Affiliations

  1. Tananaev Institute of Rare Element and Mineral Chemistry and Technology, Kola Research Center, Russian Academy of Sciences, ul. Fersmana 14, Apatity, Murmansk oblast, 184200, Russia

    Yu. V. Rakitin & V. T. Kalinnikov

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

    S. G. Khodasevich & V. M. Novotortsev

Authors
  1. Yu. V. Rakitin
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  2. V. T. Kalinnikov
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  3. S. G. Khodasevich
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  4. V. M. Novotortsev
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Additional information

Original Russian Text © Yu.V. Rakitin, V.T. Kalinnikov, S.G. Khodasevich, V.M. Novotortsev, 2007, published in Koordinatsionnaya Khimiya, 2007, Vol. 33, No. 8, pp. 563–571.

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Rakitin, Y.V., Kalinnikov, V.T., Khodasevich, S.G. et al. Extended angular overlap model in the structure theory of transition metal complexes. Basic principles. Russ J Coord Chem 33, 551–559 (2007). https://doi.org/10.1134/S1070328407080015

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  • DOI: https://doi.org/10.1134/S1070328407080015

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