Resonances and interference effects on the effective electronic coupling in electron transfer

Amanda Cheong, Adrian E. Roitberg, Vladimiro Mujica, Mark A. Ratner

Research output: Contribution to journalArticlepeer-review

22 Scopus citations


We discuss the possibility of using the energy of the transmitted electron (ε{lunate}) as a control parameter in electron transfer (ET) reactions. The change in response of the system is entirely contained, within the simplest model, in the effective electronic coupling, which exhibit sharp changes in the resonance region and near its minima as a function of ε{lunate}. The positions of the minima are strongly influenced by the molecular geometry. To calculate the effective coupling, we use a Green's function approach. The electronic structure is calculated within an extended Hückel model. We show the interference and resonance behavior appears for a very simple a four-site model with multisite interactions. The interference effects disappear in a tight binding model of the same system. Application to a molecular system dramatically shows these effects.

Original languageEnglish (US)
Pages (from-to)81-86
Number of pages6
JournalJournal of Photochemistry and Photobiology, A: Chemistry
Issue number1-3
StatePublished - Aug 23 1994
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Physics and Astronomy(all)


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