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Application of perturbation theory to estimate inner and outer spherf ligand reactivities

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Abstract

As a mutual ligand reactivity index we proposed the stabilization energy ΔE calculated by perturbation theory. For intermediate complexes from the oxidation reaction of phosphine and arsine with the halogenide Cu(II) we obtain a correlation between the size of ΔE and the rate constant. The electronic properties of the complexes are calculated using the MWH method.

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Sokolskii Institute for Organic Catalysis and Electrochemistry, Kazakh Academy of Sciences, Alma-Ata. Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 27, No. 6, pp. 653–658, November–December, 1991. Original article submitted March 3, 1987.

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Derfman, Y.A., Kel'man, I.V. Application of perturbation theory to estimate inner and outer spherf ligand reactivities. Theor Exp Chem 27, 566–570 (1991). https://doi.org/10.1007/BF01373403

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