Lattice-Directed Formation of Covalent and Organometallic Molecular Wires by Terminal Alkynes on Ag Surfaces
Résumé
Surface reactions of 2,5-diethynyl-1,4-bis(phenylethynyl)benzene on Ag(111), Ag(110), and Ag(100) were systematically explored and scrutinized by scanning tunneling microscopy, molecular mechanics simulations, and density functional theory calculations. On Ag(111), Glaser coupling reaction became dominant, yielding one-dimensional molecular wires formed by covalent bonds. On Ag(110) and Ag(100), however, the terminal alkynes reacted with surface metal atoms, leading to one-dimensional organometallic nanostructures. Detailed experimental and theoretical analyses revealed that such a lattice dependence of the terminal alkyne reaction at surfaces originated from the matching degree between the periodicities of the produced molecular wires and the substrate lattice structures.
Mots clés
Chemical bonds
Density functional theory
Hydrocarbons
Molecular mechanics
Nanowires
Organometallics
Scanning tunneling microscopy
Single crystals
Surface reactions
Wire
Glaser couplings
Lattice match
Matching degree
Molecular mechanics simulation
Molecular wires
One-dimensional molecular wires
Substrate lattice
Terminal alkyne
Silver