Use of U-shaped donor-bridge-acceptor molecules to study electron tunneling through nonbonded contacts.
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.
Napper
Andrew M
AM
Department of Math and Science, Chadron State College, Nebraska 69337, USA.
Head
Nicholas J
NJ
Oliver
Anna M
AM
Shephard
Michael J
MJ
Paddon-Row
Michael N
MN
Read
I
I
Waldeck
David H
DH