This applet models the Marcus Theory of electron transfer in solution for the diabatic (nonadiabatic) case.
Clicking on Gš+ increases the Gibbs energy of electron transfer. Click on Gš- to decrease the Gibbs energy. Clicking on q1+ increases the equilibrium bond length for compound #1. Click on q1- to decrease the bond length of compound #1. Clicking on q2+ increases the equilibrium bond length for compound #2. Click on q2- to decrease the bond length of compound #2.
The activation energy for electron transfer between 1 and 2 is calculated by the applet, using the equation: G‡ =(Gš + λ)2/4λ, where λ is the reorganization energy.
The rate constant for the transfer is also calculated by the applet, with kET = kBT h -1 exp (-G‡/RT).
© 2004-2011 by Lawrence T. Sein. All rights reserved.
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