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

S. Blankenburg (), F. Ortmann and W. G. Schmidt
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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

A chapter in High Performance Computing in Science and Engineering, Garching/Munich 2007, 2009, pp 641-648 from Springer

Abstract: 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.

Date: 2009
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DOI: 10.1007/978-3-540-69182-2_49

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