133255 20240410085329.0 doi 10.1039/c6cp04449b sideral 137901 ART-2016-137901 eng Villagómez, C.J. Adsorption of single 1,8-octanedithiol molecules on Cu(100) 2016 Single 1,8-octanedithiol (ODT) molecules adsorbed onto the Cu(100) surface have been characterized by using scanning tunneling microscopy (STM) and studied by semi-empirical calculations. STM images have revealed two types of chiral molecules on the surface upon adsorption and both types of molecules showed two bright spots at the extremities of a small rod due to the enhanced electronic density contrast of the chemisorbed sulfur atoms. In sub-monolayer regime deposition, ODT molecules exhibit preferential adsorption directions and the relaxation mechanism is driven by the chemisorption of the two sulfur atoms in a hollow site of the surface. By means of calculations several conformations of the molecule according to the energetically favorable alkane body stretching constraint have been studied. The comparison between relaxed conformations and between calculated and experimental STM images, followed by an analysis of different orientations, has allowed determining unambiguously the most favorable position of the ODT molecule on Cu(100). info:eu-repo/semantics/closedAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 4.123 2016 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 6 / 35 = 0.171 2016 Q1 T1 CHEMISTRY, PHYSICAL 38 / 144 = 0.264 2016 Q2 T1 1.685 2016 Physics and Astronomy (miscellaneous) 2016 Q1 Physical and Theoretical Chemistry 2016 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Castanié, F. Momblona, C. (orcid)0000-0003-2953-3065 Gauthier, S. Zambelli, T. Bouju, X. 18, 39 (2016), 27521-27528 Phys. chem. chem. phys. Physical chemistry chemical physics 1463-9076 4991632 http://zaguan.unizar.es/record/133255/files/texto_completo.pdf Versión publicada 2795055 http://zaguan.unizar.es/record/133255/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:133255 articulos driver 2024-04-10-08:37:28 ARTICLE