Issue 6, 2011
From the journal:

Chemical Communications

Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model†

Carsten Rohr,*a   Marta Balbás Gambra,b   Kathrin Gruber,a   Cornelia Höhl,a   Michael S. Malarek,‡c   Lukas J. Scherer,§c   Edwin C. Constable,c   Thomas Franoschbd  and  Bianca A. Hermann*a  

* Corresponding authors

a Center for Nano Science (CeNS) and Walther-Meissner-Institute of Low Temperature Research of the Bavarian Academy of Sciences, Walther-Meissner-Str. 8, 85748 Garching, Germany
E-mail: carstenrohr@gmx.de, b.hermann@cens.de

b Arnold Sommerfeld Center for Theoretical Physics (ASC) and Center for Nano Science (CeNS), Department of Physics, LMU München, Theresienstraße 37, 80333 München, Germany

c Department of Chemistry, University of Basel, Spitalstrasse 51, 4056 Basel, Switzerland

d Institut für Theoretische Physik, Universität Erlangen-Nürnberg, Staudtstrasse 7, 91058 Erlangen, Germany

Abstract

An interaction-site model can a priori predict molecular self-organisation on a new substrate in Monte Carlo simulations. This is experimentally confirmed with scanning tunnelling microscopy on Fréchet dendrons of a pentacontane template. Local and global ordering motifs, inclusion molecules and a rotated unit cell are correctly predicted.

Graphical abstract: Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model

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Article information

DOI
https://doi.org/10.1039/C0CC03603J
Article type
Communication
Submitted
01 Sep 2010
Accepted
01 Nov 2010
First published
03 Dec 2010

Chem. Commun., 2011,47, 1800-1802

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Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model

C. Rohr, M. Balbás Gambra, K. Gruber, C. Höhl, M. S. Malarek, L. J. Scherer, E. C. Constable, T. Franosch and B. A. Hermann, Chem. Commun., 2011, 47, 1800 DOI: 10.1039/C0CC03603J

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