Understanding quantum interference in coherent molecular conduction

  • Posted on: 10 July 2014
  • By: admin
TitleUnderstanding quantum interference in coherent molecular conduction
Publication TypeJournal Article
Year of Publication2008
AuthorsSolomon G.C, Andrews D.Q, Hansen T., Goldsmith R.H, Wasielewski M.R, Van Duyne R.P, Ratner M.A
JournalJournal of Chemical Physics
Date PublishedAug 7
ISBN Number0021-9606
Accession NumberISI:000258336100034
Keywordsbridge, electron-transfer, formalism, formula, huckel, junctions, transport, wires

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. (C) 2008 American Institute of Physics.

Alternate JournalJ Chem Phys