A highly ordered, aromatic bidentate self-assembled monolayer on Au(111): A combined experimental and theoretical study

Xia Stammer, Katrin Tonigold, Asif Bashir, Daniel Käfer, Osama Shekhah, Christian Hülsbusch, Martin Kind, Axel Groß*, Christof Wöll

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

Self assembled monolayers (SAMs) made from an aromatic organodithiol, 2-mercaptomethylbenzenethiol (C6H4SHCH2SH) on Au(111) have been investigated in the context of a combined experimental and theoretical approach. The SAMs prepared by immersion of an Au-substrate in corresponding ethanolic solutions were characterized using scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), infrared reflection absorption spectroscopy (IRRAS) and thermal desorption spectroscopy (TDS). Adapted from the experimentally obtained unit cell of the SAM, density functional theory (DFT) calculations were applied to get a deeper insight into the structure of these dithiolate based SAMs. On the basis of the experimental and theoretical findings we provide a detailed structural model for this aromatic SAM consisting of the phenyl-group rigidly anchored to the substrate by two thiolate-bonds.

Original languageEnglish (US)
Pages (from-to)6445-6454
Number of pages10
JournalPhysical Chemistry Chemical Physics
Volume12
Issue number24
DOIs
StatePublished - Jan 1 2010

ASJC Scopus subject areas

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

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