Lattice-Directed Formation of Covalent and Organometallic Molecular Wires by Terminal Alkynes on Ag Surfaces

Jing Liu (1) , Qiwei Chen (1) , Lianghong Xiao (1) , Jian Shang (1) , Xiong Zhou (1) , Yajie Zhang (1) , Yu Wang (1) , Xiang Shao (2) , Jianlong Li (3, 1) , Wei Chen (4) , Guo Qin Xu (4) , Hao Tang (5) , Dahui Zhao (1) , Kai Wu (1)

1 Peking University [Beijing]
2 USTC - University of Science and Technology of China [Hefei]
3 Beijing Forestry University
4 NUS - National University of Singapore
5 CEMES - Centre d'élaboration de matériaux et d'études structurales

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

Domaines: Physique [physics]

Jing Liu, Qiwei Chen, Lianghong Xiao, Jian Shang, Xiong Zhou, et al.. Lattice-Directed Formation of Covalent and Organometallic Molecular Wires by Terminal Alkynes on Ag Surfaces. ACS Nano, 2015, 9 (6), pp.6305-6314. ⟨10.1021/acsnano.5b01803⟩. ⟨hal-01766333⟩