Effect of an axial ligand on the self-assembly of molecular platforms,Physical Chemistry Chemical Physics

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Effect of an axial ligand on the self-assembly of molecular platforms
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2022-11-28 , DOI: 10.1039/d2cp04760h
Chao Li ₁ , Xiangzhi Meng ₁ , Alexander Weismann ₁ , Jan-Simon von Glasenapp ₂ , Sebastian Hamer ₂ , Feifei Xiang ₃ , Carlo A Pignedoli ₃ , Rainer Herges ₂ , Richard Berndt ₁

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Sub-monolayer amounts of trioxatriangulenium (TOTA) molecules functionalized with biphenyl on Ag(111) were investigated with scanning tunnelling microscopy. The molecule is comprised of a rod-shaped axial ligand and a triangular platform that tends to form hydrogen bonds in arrays. Two superstructures are observed, a hexagonal tiling and a phase of molecular double rows. While the former structure matches previous observations from other functionalized TOTA molecules the latter one was unexpected. Aided by density functional theory results, we analyse the observed intramolecular contrast and present a model of the new phase. We discuss possible interaction mechanisms underlying the molecular pattern.

中文翻译：

轴向配体对分子平台自组装的影响

用扫描隧道显微镜研究了在 Ag(111) 上用联苯功能化的亚单层量的 trioxatriangulenium (TOTA) 分子。该分子由一个棒状轴向配体和一个倾向于在阵列中形成氢键的三角形平台组成。观察到两个超结构，一个六边形平铺和一个分子双排相。虽然前一种结构与之前对其他功能化 TOTA 分子的观察结果相符，但后一种结构出乎意料。在密度泛函理论结果的帮助下，我们分析了观察到的分子内对比并提出了新相的模型。我们讨论了分子模式下可能的相互作用机制。

更新日期：2022-11-28

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