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: Contribution to journalArticle査読

11 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 14 2012
外部発表はい

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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