Lattice-Directed Formation of Covalent and Organometallic Molecular Wires by Terminal Alkynes on Ag Surfaces
Lattice-Directed Formation of Covalent and Organometallic Molecular Wires by Terminal Alkynes on Ag Surfaces
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银表面上末端炔烃定向形成共价和有机金属分子线
DOI：
10.1021/acsnano.5b01803
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发表时间：
2015-06-01
期刊：
影响因子：
17.1
通讯作者：
Wu, Kai
中科院分区：
文献类型：
--
作者：
Liu, Jing;Chen, Qiwei;Wu, Kai
利用扫描隧道显微镜、分子力学模拟和密度泛函理论计算，系统地研究了2，5-二乙炔基-1，4-二（苯乙炔基）苯在Ag（111）、Ag（110）和Ag（100）表面的反应.在Ag（111）表面，Glaser偶联反应占主导地位，形成由共价键组成的一维分子线。然而，在Ag（110）和Ag（100）上，末端炔与表面金属原子反应，导致一维有机金属纳米结构。详细的实验和理论分析表明，这种晶格依赖性的末端炔反应在表面起源于周期性之间的匹配程度产生的分子线和衬底的晶格结构。
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.