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Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer

In: High Performance Computing in Science and Engineering, Garching/Munich 2007

Author

Listed:
  • S. Blankenburg

    (Universität Paderborn, Lehrstuhl für Theoretische Physik)

  • F. Ortmann

    (Friedrich-Schiller-Universität Jena, Institut für Festkörperteorie und -optik)

  • W. G. Schmidt

    (Universität Paderborn, Lehrstuhl für Theoretische Physik)

Abstract

First-principles calculations are used to rationalize the long-range chiral recognition between adenine and phenylglycine adsorbed on Cu(110) (Chen and Richardson in Nat. Mater. 2:324, 2003). The enantiomeric interaction is traced to substrate-mediated Coulomb repulsion and template effects. The mechanism revealed here (i) shows that the Easson and Stedman model for chiral recognition may include long-range electrostatic interactions and (ii) illustrates the catalytic potential of the substrate for molecular self-assembly.

Suggested Citation

  • S. Blankenburg & F. Ortmann & W. G. Schmidt, 2009. "Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer," Springer Books, in: Siegfried Wagner & Matthias Steinmetz & Arndt Bode & Matthias Brehm (ed.), High Performance Computing in Science and Engineering, Garching/Munich 2007, pages 641-648, Springer.
    • Handle: RePEc:spr:sprchp:978-3-540-69182-2_49
    DOI: 10.1007/978-3-540-69182-2_49
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