" /> reorganization energy - CISMeF





Preferred Label : reorganization energy;

Detailed label : reorganization energy in electron transfer;

IUPAC definition : Gibbs energy dissipated when a system that has undergone 'vertical' electron transfer (i.e., electron transfer obeying the Franck–Condon principle) relaxes to the equilibrium state for its new charge distribution. Commonly the total reorganization energy (λ) is written as the sum of an inner contribution (λin) and an outer contribution (λout) attributed to nuclear reorganizations of the redox partners and their environment (solvent), respectively.;

Scope note : approximations have been proposed to calculate the value of ¿out taking into account the relative permittivity of the solvent.;

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Gibbs energy dissipated when a system that has undergone 'vertical' electron transfer (i.e., electron transfer obeying the Franck–Condon principle) relaxes to the equilibrium state for its new charge distribution. Commonly the total reorganization energy (λ) is written as the sum of an inner contribution (λin) and an outer contribution (λout) attributed to nuclear reorganizations of the redox partners and their environment (solvent), respectively.

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28/07/2025


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