论文标题
通过原子操纵的末端藻类分子内耦合
Intramolecular coupling of terminal alkynes by atom manipulation
论文作者
论文摘要
通过热活化的末端炔烃类似Glaser样偶联，广泛用于表面化学中。在这里，我们证明了通过原子操纵执行的该反应的分子内版本。我们使用了从尖端的电压脉冲来触发末端炔烃碳在自定义合成的前体分子中，吸附在Cu上的双层NaCl上（111）。前体分子和产物的不同构象以分子结构阐明，其原子力显微镜和轨道密度映射和扫描隧道显微镜图，并伴随着密度功能理论计算。我们揭示了部分脱氢中间体，提供了对反应途径的见解。
Glaser-like coupling of terminal alkynes by thermal activation is extensively used in on-surface chemistry. Here we demonstrate an intramolecular version of this reaction performed by atom manipulation. We used voltage pulses from the tip to trigger a Glaser-like coupling between terminal alkyne carbons within a custom synthesized precursor molecule adsorbed on bilayer NaCl on Cu(111). Different conformations of the precursor molecule and the product were characterized by molecular structure elucidation with atomic force microscopy and orbital density mapping with scanning tunneling microscopy, accompanied by density functional theory calculations. We revealed partially dehydrogenated intermediates providing insight into the reaction pathway.
