Issue 3, 2002

Reorganization criteria and their effects on inner-sphere barriers for transition metal redox pairs M(H2O)62+/3+ (M = V, Cr, Mn, Fe and Co)

Abstract

The models and formalisms for the inner-shell energy barrier of transition metal complexes are considered according to three reorganization criteria. The inner-shell reorganization energies and activation energies of several hexahydrate redox pairs of the first transition row elements, M(H2O)62+/3+ (M = V, Cr, Mn, Fe and Co), are calculated by different formalisms. The extent of the anharmonicities in the vibrations of the metal ion and the ligands in the reorganization process of these complexes is determined. The inner-shell barriers of these redox pairs are dependent on the reorganization model used. The contributions of the individual reactants to the inner-shell barrier are sensitive to the model used.

Article information

Article type
Paper
Submitted
04 Sep 2001
Accepted
01 Oct 2001
First published
14 Feb 2002

New J. Chem., 2002,26, 361-366

Reorganization criteria and their effects on inner-sphere barriers for transition metal redox pairs M(H2O)62+/3+ (M = V, Cr, Mn, Fe and Co)

D. Zhang and C. Liu, New J. Chem., 2002, 26, 361 DOI: 10.1039/B107919K

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