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首页> 外文期刊>Journal of Physics. Condensed Matter >Reversible electron-induced cis-trans isomerization mediated by intermolecular interactions
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Reversible electron-induced cis-trans isomerization mediated by intermolecular interactions

机译:分子间相互作用介导的可逆电子诱导的顺反异构

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摘要

Reversible isomerization processes are rarely found when organic molecular switches are adsorbed on metal surfaces. One obstacle is the large energy difference of the isomeric forms, since usually the most planar conformer has the largest adsorption energy. In the example of an imine derivative, we show a strategy for also stabilizing the non-planar isomer by intermolecular bonding to its neighbors. Tunneling electrons from the tip of a scanning tunneling microscope can then be used to induce reversible switching between the transand cis-like state. Supported by model force-field calculations, we illustrate that the most probable cause of the enhanced stability of the three-dimensional cisstate at specific adsorption sites is the electrostatic interaction with N sites of the neighboring molecule.
机译:当有机分子开关吸附在金属表面上时,很少发现可逆异构化过程。一个障碍是异构体形式的能量差异大,因为通常最平面的构象异构体具有最大的吸附能。在亚胺衍生物的例子中,我们显示了一种通过分子间键合到其相邻分子来稳定非平面异构体的策略。然后,可以使用来自扫描隧道显微镜尖端的隧道电子来引发反式和顺式状态之间的可逆转换。在模型力场计算的支持下,我们说明了三维顺式态在特定吸附位点稳定性增强的最可能原因是与相邻分子N位点的静电相互作用。

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