DNA double-helix-mediated long-range electron transfer

Journal Article (Journal Article)

A theoretical analysis based upon large-scale self-consistent Hartree-Fock calculations at a semiempirical quantum theory level (CNDO/S) is performed to investigate long-range electron transfer in a donor-DNA-acceptor molecule, where the donor and acceptor moieties are tethered to the DNA. The π-stacked base pairs are found to dominate the long-range electronic coupling. Despite the π-electron mediated coupling, the exponential distance decay constant of the electron transfer rate is ∼ 1.2-1.6 Å-1, values typical of electron transfer proteins. The calculated long-range electron transfer rate of the order of 106 s-1 for a metal-to-metal distance of 21 Å is found to be in agreement with kinetic measurements by Meade and Kayyem. Based on the current analysis, the π-electrons dominate the long-range electronic coupling interactions in DNA, but they do not lead to one-dimensional molecular wire-like properties. © 1996 John Wiley & Sons, Inc.

Full Text

Duke Authors

Cited Authors

  • Priyadarshy, S; Beratan, DN; Risser, SM

Published Date

  • December 20, 1996

Published In

Volume / Issue

  • 60 / 8

Start / End Page

  • 1789 - 1795

International Standard Serial Number (ISSN)

  • 0020-7608

Digital Object Identifier (DOI)

  • 10.1002/(SICI)1097-461X(1996)60:8<1789::AID-QUA6>3.0.CO;2-U

Citation Source

  • Scopus