Anchoring and packing of self-assembled monolayers of: Semithio-bambusurils on Au(111)

Pramod Patil Kunturu, Özlem Kap, Kai Sotthewes, Pierre Cazade, Harold J.W. Zandvliet*, Damien Thompson, Ofer Reany, Jurriaan Huskens*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

1 Citation (Scopus)
13 Downloads (Pure)

Abstract

Semithio-bambusurils are a unique family of anion-binding host macrocycles that form self-assembled monolayers (SAMs) on Au(111). SAMs of semithio-bambus[n]uril homologs with different cage sizes (1: N = 4; 2: N = 6) have been investigated using electrochemistry, X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and molecular dynamics (MD) simulations. Electrochemical measurements showed that electron transfer occurs via tunneling through the SAMs, and the low resistivity indicated an open layer architecture. XPS confirmed that thiocarbonyl sulfur atoms are chemisorbed to the Au(111) surface, and STM revealed the formation of ordered domains in a rectangular lattice for 1 and a highly ordered triangular/hexagonal lattice for 2. MD simulations substantiated the STM data by quantifying the balance between molecule-surface bonding, molecular conformations, and supramolecular packing that drive the formation of SAMs that maximize their surface coverage within the limits of conformational strain.

Original languageEnglish
Pages (from-to)511-520
Number of pages10
JournalMolecular Systems Design and Engineering
Volume5
Issue number2
DOIs
Publication statusPublished - 1 Feb 2020

Keywords

  • UT-Hybrid-D

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