title: Self-assembly of semifluorinated n-alkanethiols on {111}-oriented Au investigated with scanning tunneling microscopy experiment and theory.
abstract: The adsorption of semifluorinated alkanethiols on Au/mica was studied by scanning tunneling microscopy (STM). The adlayer structure produced is based on a p(2 x 2) structure though lines of molecules displayed extensive kinks and bends. In addition, a considerable variation in the contrast of molecular features is found. Molecular modeling calculations confirm that, for the fluorinated thiols, inequivalently adsorbed molecules within a p(2 x 2) registry are present, an aspect that endows the local structure of the adlayer with a higher flexibility in comparison to nonfluorinated thiols, where one adsorption site is strongly favored in a (radical 3 x radical 3) R30 degrees structure. Simulated STM imaging on the optimized systems successfully recovered the effects on the molecular feature contrast induced by the flexibility of the fluorinated thiol adlayer.
authors.affiliation: EaStCHEM School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, United Kingdom.
authors.forename: Samson N
authors.initials: SN
authors.lastname: Patole
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Baddeley
authors.forename: David
authors.initials: D
authors.lastname: O'Hagan
authors.forename: Neville V
authors.initials: NV
authors.lastname: Richardson
authors.forename: Francesco
authors.initials: F
authors.lastname: Zerbetto
authors.forename: Linda A
authors.initials: LA
authors.lastname: Zotti
authors.forename: Gilberto
authors.initials: G
authors.lastname: Teobaldi
authors.forename: Werner A
authors.initials: WA
authors.lastname: Hofer