title: A highly ordered, aromatic bidentate self-assembled monolayer on Au(111): a combined experimental and theoretical study.
abstract: Self assembled monolayers (SAMs) made from an aromatic organodithiol, 2-mercaptomethylbenzenethiol (C(6)H(4)SHCH(2)SH) 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.
authors.affiliation: Institute of Functional Interfaces, Karlsruhe Institute of Technology, 74800 Karlsruhe, Germany.
authors.forename: Xia
authors.initials: X
authors.lastname: Stammer
authors.forename: Katrin
authors.initials: K
authors.lastname: Tonigold
authors.forename: Asif
authors.initials: A
authors.lastname: Bashir
authors.forename: Daniel
authors.initials: D
authors.lastname: Käfer
authors.forename: Osama
authors.initials: O
authors.lastname: Shekhah
authors.forename: Christian
authors.initials: C
authors.lastname: Hülsbusch
authors.forename: Martin
authors.initials: M
authors.lastname: Kind
authors.forename: Axel
authors.initials: A
authors.lastname: Gross
authors.forename: Christof
authors.initials: C
authors.lastname: Wöll