Adiabatic potentials for a bridged three-site electron-transfer system

Born—Oppenheimer potential surfaces for a bridged three-site electron-transfer system are calculated. The adiabatic potentials depend upon both the vibrational sum and difference coordinates. Along the vibrational difference coordinate, the ground-state surface has single-minimun form when the throu...

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Bibliographic Details
Published in:Chemical physics letters 1982-12, Vol.93 (5), p.421-424
Main Authors: Root, Leslie J., Ondrechen, Mary Jo
Format: Article
Language:English
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Summary:Born—Oppenheimer potential surfaces for a bridged three-site electron-transfer system are calculated. The adiabatic potentials depend upon both the vibrational sum and difference coordinates. Along the vibrational difference coordinate, the ground-state surface has single-minimun form when the through-bridge electronic coupling is strong, and double-minimum form for weak through-bridge coupling. The results are compared to those previously reported for two-site models.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(82)83213-2