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Issue 8, 1974
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Charge transfer in mixed valence solids. Part VII. Perturbation calculations of valence delocalization in iron(II,III) cyanides and silicates

Abstract

A method is described for calculating coupling integrals between donor and acceptor ions in class II mixed valence compounds. Metal–ligand–metal interactions are simulated by a perturbation model, which is then used to calculate valence delocalization coefficients from empirical and theoretical information On metal ligand and ligand metal charge transfer in the component single-valence complexes. The model is tested by applying it to FeII,III cyanides (Prussian Blue and its discrete molecular analogues) and silicates (e.g. biotite micas). Good agreement is found between observed and calculated intensities of the mixed valence charge transfer transitions.

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Article type: Paper
DOI: 10.1039/DT9740000846
Citation: J. Chem. Soc., Dalton Trans., 1974,0, 846-852
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    Charge transfer in mixed valence solids. Part VII. Perturbation calculations of valence delocalization in iron(II,III) cyanides and silicates

    B. Mayoh and P. Day, J. Chem. Soc., Dalton Trans., 1974, 0, 846
    DOI: 10.1039/DT9740000846

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