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Use of U-shaped donor-bridge-acceptor molecules to study electron tunneling through nonbonded contacts
Authors:Napper Andrew M  Head Nicholas J  Oliver Anna M  Shephard Michael J  Paddon-Row Michael N  Read I  Waldeck David H
Institution:Department of Math and Science, Chadron State College, Nebraska 69337, USA.
Abstract:A systematic determination of electronic coupling matrix elements in U-shaped molecules is demonstrated. The unique architecture of these systems allows for the determination of the electronic coupling through a pendant molecular moiety that resides between the donor and acceptor groups; this moiety quantifies the efficiency of electron tunneling through nonbonded contacts. Experimental electron-transfer rate constants and reaction free energies are used to calibrate a molecular-based model that describes the solvation energy. This approach makes it possible to experimentally determine electronic couplings and compare them with computational values.
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