skip to main content

Title: Construction of single-crystalline supramolecular networks of perchlorinated hexa-peri-hexabenzocoronene on Au(111)

The self-assembly of the perchlorinated hexa-peri-hexabenzocoronene (PCHBC) molecules on Au(111) has been studied by a low temperature scanning tunneling microscopy (STM) combining with density functional theory based first principle calculations. Highly ordered supramolecular networks with single domains limited by the terraces are formed on Au(111) substrate. High resolution images of the PCHBC molecules, confirmed by first principle simulations, are obtained. It reveals the close-packed arrangement of the PCHBC molecules on Au(111). The calculated charge distribution of PCHBC molecules shows the existence of attractive halogen–halogen interaction between neighboring molecules. Compared with the disordered adsorption of hexa-peri-hexabenzocoronene on Au(111), we conclude that the formation of attractive ClCl interactions between neighbors is the key factor to form the highly ordered, close-packed networks. Due to the steric hindrance resulted from the peripheral chlorine atoms, the PCHBC molecule is contorted and forms the doubly concave conformation, which is different from the hexa-peri-hexabenzocoronene with a planar structure. By using this supramolecular network as a template, we deposited C{sub 60} molecules on it at room temperature with low coverage. The STM images taken at low temperature show that the C{sub 60} molecules are mono-dispersed on the networks and adsorb on top of the PCHBC molecules, forming amore » typical concave-convex host-guest system.« less
Authors:
; ; ; ; ;  [1] ;  [2] ;  [3] ;  [4] ;  [3] ;  [4] ;  [3]
  1. Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190 (China)
  2. University of Chinese Academy of Sciences and Institute of Physics, Chinese Academy of Sciences, Beijing 100049 (China)
  3. Max Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz (Germany)
  4. (China)
Publication Date:
OSTI Identifier:
22415478
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 10; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ADSORPTION; ATOMS; CHARGE DISTRIBUTION; CHLORINE; COMPARATIVE EVALUATIONS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL METHOD; FULLERENES; GOLD; IMAGES; MOLECULES; MONOCRYSTALS; POLYCYCLIC AROMATIC HYDROCARBONS; SCANNING TUNNELING MICROSCOPY; SUBSTRATES