Molecular simulations of outersphere reorganization energies in polar and quadrupolar solvents. The case of intramolecular electron and hole transfer

Vener, M V; Tovmash, A V; Rostov, Ivan; Basilevsky, M V

Molecular simulations of outersphere reorganization energies in polar and quadrupolar solvents. The case of intramolecular electron and hole transfer

Date

2006

Authors

Vener, M V

Tovmash, A V

Rostov, Ivan

Basilevsky, M V

Publisher

American Chemical Society

Abstract

Outersphere reorganization energies (λ) for intramolecular electron and hole transfer are studied in anionand cation-radical forms of complex organic substrates (p-phenylphenyl-spacer-naphthyl) in polar (water, 1,2-dichloroethane, tetrahydrofuran) and qu