Polar solvent structural parameters from protonation equilibria of aliphatic and alicyclic diamines and from absorption bands of mixed-valence transition-metal complexes

作者: A.A. Kornyshev , J. Ulstrup

DOI: 10.1016/0009-2614(86)85119-3

关键词: Molecular electronic transitionSolventProtonationPhysical chemistryValence (chemistry)RutheniumOrganic chemistryAcetonitrileAlicyclic compoundSolvent effectsChemistry

摘要: Abstract We have applied non-local electrostatic theory in combination with a simple solute model to obtain solvent structural properties terms of the short-range dielectric constant, \ ge, and correlation length for polarization fluctuations, A. These parameters are fitted experimental data free energy interaction between protonated amino groups dibasic amines intervalence band maxima binuclear ruthenium complexes bridge varying length. The results show that screening outer solvent, ge range 3.5–4 water, A ≈ 2–3 4 acetonitrile respectively, provide good fits data, implying significance effects these phenomena.

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