Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer

S. Blankenburg; F. Ortmann; W. G. Schmidt

Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer

S. Blankenburg, F. Ortmann, W. G. Schmidt

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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.

Original language	English
Title of host publication	High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop
Pages	641-648
Number of pages	8
State	Published - 2009
Externally published	Yes
Event	2007 3rd Joint HLRB and KONWIHR Result and Reviewing Workshop - Garching/Munich, Germany Duration: 3 Dec 2007 → 4 Dec 2007

Publication series

Name	High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop

Conference

Conference	2007 3rd Joint HLRB and KONWIHR Result and Reviewing Workshop
Country/Territory	Germany
City	Garching/Munich
Period	3/12/07 → 4/12/07

Cite this

Blankenburg, S., Ortmann, F., & Schmidt, W. G. (2009). Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer. In High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop (pp. 641-648). (High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop).

Blankenburg, S. ; Ortmann, F. ; Schmidt, W. G. / Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer. High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop. 2009. pp. 641-648 (High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop).

@inproceedings{744423983c7849ed9ce71a07f579ce88,

title = "Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer",

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.",

author = "S. Blankenburg and F. Ortmann and Schmidt, {W. G.}",

year = "2009",

language = "English",

isbn = "9783540691815",

series = "High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop",

pages = "641--648",

booktitle = "High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop",

note = "2007 3rd Joint HLRB and KONWIHR Result and Reviewing Workshop ; Conference date: 03-12-2007 Through 04-12-2007",

}

Blankenburg, S, Ortmann, F & Schmidt, WG 2009, Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer. in High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop. High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop, pp. 641-648, 2007 3rd Joint HLRB and KONWIHR Result and Reviewing Workshop, Garching/Munich, Germany, 3/12/07.

Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer. / Blankenburg, S.; Ortmann, F.; Schmidt, W. G.
High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop. 2009. p. 641-648 (High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Blankenburg, S.

AU - Ortmann, F.

AU - Schmidt, W. G.

PY - 2009

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N2 - 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.

AB - 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.

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M3 - Conference contribution

AN - SCOPUS:84897697132

SN - 9783540691815

T3 - High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop

SP - 641

EP - 648

BT - High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop

T2 - 2007 3rd Joint HLRB and KONWIHR Result and Reviewing Workshop

Y2 - 3 December 2007 through 4 December 2007

ER -

Blankenburg S, Ortmann F, Schmidt WG. Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer. In High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop. 2009. p. 641-648. (High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop).

Long-range Chiral recognition due to substrate locking and substrate-adsorbate charge transfer

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