Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution

Alexander Soudackov, Sharon Hammes-Schiffer

Research output: Contribution to journalArticlepeer-review

198 Scopus citations

Abstract

The nonadiabatic proton-coupled electron transfer (PCET) reactions in solutions are formulated based on a multistate continuum theory. The reactions are described as the transition between two sets of adiabatic free energy surfaces in relation with the two electron transfer states. The formula defines the reorganization energies, equilibrium free energy differences and couplings in terms of the two-dimensional free energy surfaces.

Original languageEnglish (US)
Pages (from-to)2385-2396
Number of pages12
JournalJournal of Chemical Physics
Volume113
Issue number6
DOIs
StatePublished - Aug 2000
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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