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

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

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 r...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2011-02, Vol.47 (6), p.1800-1802
Hauptverfasser: Rohr, Carsten, Balbás Gambra, Marta, Gruber, Kathrin, Höhl, Cornelia, Malarek, Michael S, Scherer, Lukas J, Constable, Edwin C, Franosch, Thomas, Hermann, Bianca A
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Sprache:eng
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Zusammenfassung: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.
ISSN:1359-7345
1364-548X
DOI:10.1039/c0cc03603j