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

Rohr, Carsten; Balbás Gambra, Marta; Gruber, Kathrin; Höhl, Cornelia; Malarek, Michael S.; Scherer, Lukas J.; Constable, Edwin C.; Franosch, Thomas and Hermann, Bianca A. (2011): Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model. In: Chemical communications, Vol. 47: pp. 1800-1802

Abstract

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

• Item Type: Journal article
• Faculties: Physics
• Subjects: 500 Science > 540 Chemistry
• ISSN: 1359-7345
• Alliance/National Licence: This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively.
• Language: English