论文标题
在超高真空中单击化学 - 四嗪与与Si的甲基烯醇醚耦合（001）
Click chemistry in ultra-high vacuum - tetrazine coupling with methyl enol ether covalently linked to Si(001)
论文作者
论文摘要
在超高真空（UHV）中进行无添加剂的四嗪/烯醇接触反应，其烯醇醚组与硅表面相关：二甲基1,2,4,5-甲苯嗪-3,6-二甲苯二甲基二羧酸盐分子，将其与乙醚组相吻合，以供应孔孔。 （001）通过环状细胞的紧张三键表面。通过X射线光电子光谱（XPS）在380 K的表面温度下观察到该反应。未检测到通过氮原子直接与Si（001）表面结合的四嗪分子的适应症。通过基于密度函数理论的计算，在真空中推导了中等的能屏障，与实验结果吻合。因此，这种与UHV兼容的点击反应为合成共价结合的有机体系结构开辟了一条新的灵活途径。
The additive-free tetrazine/enol ether click reaction was performed in ultra-high vacuum (UHV) with an enol ether group covalently linked to a silicon surface: Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate molecules were coupled to the enol ether group of a functionalized cyclooctyne which was adsorbed on the silicon (001) surface via the strained triple bond of cyclooctyne. The reaction was observed at a surface temperature of 380 K by means of X-ray photoelectron spectroscopy (XPS). No indications for tetrazine molecules which bind directly to the Si(001) surface via the nitrogen atoms were detected. A moderate energy barrier was deduced for this click reaction in vacuum by means of density functional theory based calculations, in good agreement with the experimental results. This UHV-compatible click reaction thus opens a new, flexible route for synthesizing covalently bound organic architectures.
