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Application of perturbation theory to estimate inner and outer spherf ligand reactivities
Authors:Ya A Derfman  I V Kel'man
Abstract:As a mutual ligand reactivity index we proposed the stabilization energy DeltaE 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 DeltaE and the rate constant. The electronic properties of the complexes are calculated using the MWH method.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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