TY - JOUR
T1 - Intramolecular electron transfer
T2 - Simple theory of purely electronic effects
AU - Ratner, Mark A.
AU - Ondrechen, Mary Jo
N1 - Funding Information:
We are grateful to the Materials Research Center of Northwestern University for support of this research. MR is grateful to A. L. Allred, S. F. Fischer, H. B. Gray, B. M. Hoffman and D. F. Shriver for helpful discussion. We thank the referees for their comments.
Copyright:
Copyright 2016 Elsevier B.V., All rights reserved.
PY - 1976/11
Y1 - 1976/11
N2 - Within a given simple model hamiltonian of extended Hiickel, Hubbard or CNDO type, we derive, using perturbation theory, an expression for the effective transfer rate of an electron or hole from one region within the molecule to another. Vibronic interactions, though crucial to the real, observed rate process, are ignored for present purposes; rather, attention is focused on comparative electronic effects. Perturbation theory is used to derive relations for effective transfer integrals. Application to mixed valence dimeric systems as well as to substituted biphenyl derivatives is suggested. Brief comparison with other treatments is outlined.
AB - Within a given simple model hamiltonian of extended Hiickel, Hubbard or CNDO type, we derive, using perturbation theory, an expression for the effective transfer rate of an electron or hole from one region within the molecule to another. Vibronic interactions, though crucial to the real, observed rate process, are ignored for present purposes; rather, attention is focused on comparative electronic effects. Perturbation theory is used to derive relations for effective transfer integrals. Application to mixed valence dimeric systems as well as to substituted biphenyl derivatives is suggested. Brief comparison with other treatments is outlined.
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U2 - 10.1080/00268977600102641
DO - 10.1080/00268977600102641
M3 - Article
AN - SCOPUS:84951141121
VL - 32
SP - 1233
EP - 1245
JO - Molecular Physics
JF - Molecular Physics
SN - 0026-8976
IS - 5
ER -