Supramolecular Clâ
â
â
H and Oâ
â
â
H interactions in self-assembled 1,5-dichloroanthraquinone layers on Au(111).
Chemphyschem
; 14(6): 1177-81, 2013 Apr 15.
Article
em En
| MEDLINE
| ID: mdl-23460473
ABSTRACT
The role of halogen bonds in self-assembled networks for systems with Br and I ligands has recently been studied with scanning tunneling microscopy (STM), which provides physical insight at the atomic scale. Here, we study the supramolecular interactions of 1,5-dichloroanthraquinone molecules on Au(111), including Cl ligands, by using STM. Two different molecular structures of chevron and square networks are observed, and their molecular models are proposed. Both molecular structures are stabilized by intermolecular Clâ
â
â
H and Oâ
â
â
H hydrogen bonds with marginal contributions from Cl-related halogen bonds, as revealed by density functional theory calculations. Our study shows that, in contrast to Br- and I-related halogen bonds, Cl-related halogen bonds weakly contribute to the molecular structure due to a modest positive potential (σ hole) of the Cl ligands.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Chemphyschem
Assunto da revista:
BIOFISICA
/
QUIMICA
Ano de publicação:
2013
Tipo de documento:
Article