Abstract
Abstract An application of the polarizable continuum solvent model to the Fe 2+ /Fe 3+ electron exchange reaction in water is presented. The model accounts for the internal energy of the ions, and the electrostatic and repulsion terms of the solute-solvent interaction. By describing all the solvent motions with only two geometrical parameters, one finds an activation energy in good agreement with experimental values; the model provides a simple and coherent description of the diffusion and activation steps of the reaction, and a way of directly calculating a quantity that appears in the expression of electronic transmission factor.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
