1998
DOI: 10.1021/jp981754r
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Solvent Reorganization Energy and Free Energy Change for Donor/Acceptor Electron Transfer at Micelle Surfaces:  Theory and Experiment

Abstract: Theories are presented for calculating the solvent reorganization energy and the free energy change which occur in photoinduced donor/acceptor electron transfer at the surface of micelles. The theories are based on the Marcus theory for spherical reactants in a dielectric continuum. The micelle is modeled with regions of differing dielectric properties, representing the micelle core, the headgroup region, and the surrounding water. The free energy change accompanying electron transfer can be calculated from re… Show more

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Cited by 84 publications
(109 citation statements)
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References 67 publications
(188 reference statements)
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“…This can be estimated using the Rehm-Weller equation, which requires excitation energy and redox potentials and assumes spherical ions in a continuum electrostatic model. 127 (As an example for using this approach see 59 ). As will be demonstrated below, the assumption of spherical ions in a continuum electrostatic 28 solvent is quite poor here.…”
Section: Electron Transfermentioning
confidence: 99%
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“…This can be estimated using the Rehm-Weller equation, which requires excitation energy and redox potentials and assumes spherical ions in a continuum electrostatic model. 127 (As an example for using this approach see 59 ). As will be demonstrated below, the assumption of spherical ions in a continuum electrostatic 28 solvent is quite poor here.…”
Section: Electron Transfermentioning
confidence: 99%
“…The terms u PS and u RS are the total interaction energies between all the solvent molecules (water and DMA molecules, excluding the one DMA molecule selected to be the electron donnor) and the product (P) molecules and reactant (R) molecules, respectively; u IP is the interaction between the ion pairs DMA + /C314 -held at a fixed separation R (this quantity is estimated to be −1/εR, with ε being the dielectric constant of the medium in the Rhem-Weller expression); and δE 0 is the gas phase energy difference equal to the difference between the ionization potential of the donor and the electron affinity of the acceptor, minus the energy corresponding to the wavelength where the emission and absorption spectra cross. 59,127 From Eq. 10 and 11 we obtain:…”
Section: Electron Transfermentioning
confidence: 99%
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“…Similarly, the third term is the contribution from the surrounding water, minus the contribution from the shell dielectric over that region. Analytical solutions to the integrals have been presented previously 8,68 and can be found in Appendix A. The Marcus expression for λ o in a continuum solvent can be obtained by taking the first term in eq 4 and removing the Kharkats corrections 69 for donor and acceptor volumes.…”
Section: Model and Theorymentioning
confidence: 99%
“…8,15,20,[40][41][42][43][44][45] The difference between the donor and acceptor standard potentials (∆E°), standard free energy of transfer (∆G), and reorganization energy (λ), shown in Figure 2, determine the energetics of the reaction. These quantities are determined by solute energy levels, local dielectric properties, and molecular sizes and charges.…”
Section: Introductionmentioning
confidence: 99%