Self-assembly of a catechol-based macrocycle at the liquid-solid interface: Experiments and molecular dynamics simulations

Javier Saiz-Poseu, Alberto Martínez-Otero, Thomas Roussel, Joseph K.H. Hui, Mavis L. Montero, Roberto Urcuyo, Mark J. MacLachlan, Jordi Faraudo, Daniel Ruiz-Molina

研究成果: ジャーナルへの寄稿学術誌査読

12 被引用数 (Scopus)

抄録

This combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging reveals a hexagonal ordering of the macrocycles at the n-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern. This journal is

本文言語英語
ページ(範囲)11937-11943
ページ数7
ジャーナルPhysical Chemistry Chemical Physics
14
34
DOI
出版ステータス出版済み - 9月 14 2012
外部発表はい

!!!All Science Journal Classification (ASJC) codes

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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