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• W2023587963 abstract "The oriented dipole plus electrostatic continuum model gives more satisfactory agreement between calculated and experimental data for ionic heats and entropies of solvation than the Born continuum model. This fact suggests that the oriented dipole plus electrostatic continuum model should be more appropriate for calculations concerning the activated state in charge transfer reactions involving small ions, in particular for proton transfer. Activation of the discharging ion occurs mainly as a result of classical disturbances in its solvation sheath, as classical disturbances in the electrostatic continuum would be too small in effect. The model thus developed is much simpler than the Dogonadze concept of a “structured” dielectric continuum32, and succeeds in explaining the relative independence of β on potential, together with observed compensation effects between heat and entropy of activation. An important difference between the Gurney-Dogonadze-Levich model of proton transfer and that described here is the occurrence of a large number of back and forth electron transfers during the lifetime of activated molecules, rather than a single transfer with a simultaneous attachment of the proton. The theory thus involves a transition state in which the electron role is defined. Criteria for distinguishing between the two theories are via the preexponential factor and via the H/T separation factor in alkaline solution on gallium electrodes." @default.
• W2023587963 created "2016-06-24" @default.
• W2023587963 creator A5084025906 @default.
• W2023587963 date "1974-03-01" @default.
• W2023587963 modified "2023-09-26" @default.
• W2023587963 title "The proton-transfer reaction: Diagnostic criteria and system models" @default.
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• W2023587963 doi "https://doi.org/10.1016/s0022-0728(74)80289-5" @default.
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