title: Adsorption geometry variation of 1,4-benzenedimethanethiol self-assembled monolayers on Au(111) grown from the vapor phase.
abstract: 1,4-benzenedimethanethiol was chemisorbed from the vapor phase onto Au(111). The chemisorption geometry, molecular orientation, and bonding properties were studied at different degrees of surface coverage by photoelectron spectroscopy, metastable deexcitation spectroscopy, and near-edge x-ray absorption fine structure spectroscopy at the carbon K edge. Two main chemisorption regimes were identified: at low coverage the molecules adopt a flat configuration, then, as the molecular density of the first layer increases, the reduction of the available chemisorption sites induces the newly bonded molecules to assume a vertical alignment, with only one of the sulphur head groups interacting with the substrate. Experimental results were interpreted on the basis of theoretical calculations that we performed on the free molecule concerning the molecular orbitals' density of states and simulated x-ray absorption.
authors.affiliation: Dipartimento di Ingegneria dei Materiali e dell'Ambiente, Università di Modena e Reggio Emilia, Via Vignolese 905, 41100 Modena, Italy. pasquali@unimore.it
authors.forename: L
authors.initials: L
authors.lastname: Pasquali
authors.forename: F
authors.initials: F
authors.lastname: Terzi
authors.forename: R
authors.initials: R
authors.lastname: Seeber
authors.forename: B P
authors.initials: BP
authors.lastname: Doyle
authors.forename: S
authors.initials: S
authors.lastname: Nannarone
mesh_terms: D000327:Adsorption; D001555:Benzene Derivatives / Q000737:chemistry*; D003198:Computer Simulation; D003461:Crystallography / Q000379:methods*; D005740:Gases / Q000737:chemistry; D006046:Gold / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D044367:Phase Transition; D013438:Sulfhydryl Compounds / Q000737:chemistry*
chemical_list: D001555:Benzene Derivatives; D005740:Gases; D013438:Sulfhydryl Compounds; D006046:Gold; C512626:1,4-benzenedimethanethiol