Understanding quantum interference in coherent molecular conduction

Gemma C. Solomon, David Q. Andrews, Thorsten Hansen, Randall H. Goldsmith, Michael R. Wasielewski, Richard P. Van Duyne, Mark A. Ratner

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Abstract

Theory and experiment examining electron transfer through molecules bound to electrodes are increasingly focused on quantities that are conceptually far removed from current chemical understanding. This presents challenges both for the design of interesting molecules for these devices and for the interpretation of experimental data by traditional chemical mechanisms. Here, the concept of electronic coupling from theories of intramolecular electron transfer is extended and applied in the scattering theory (Landauer) formalism. This yields a simple sum over independent channels, that is then used to interpret and explain the unusual features of junction transport through cross-conjugated molecules and the differences among benzene rings substituted at the ortho, meta, or para positions.

Original languageEnglish
Article number054701
JournalJournal of Chemical Physics
Volume129
Issue number5
DOIs
Publication statusPublished - Aug 19 2008

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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