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Atop adsorption site of sulphur head groups in gold-thiolate self-assembled monolayers



Using normal incidence X-ray standing wave (NIXSW) analysis, we show that the sulphur head group occupies the atop site for methyl-, butyl- and octyl-thiolates on Au(111), with a Au-S distance of 2.50 +/- 0.05 Angstrom, and not the hollow or bridging sites favoured by theoretical calculations. Based on the results of recent theoretical calculations and NIXSW experiments for decyl-thiolate (C10H21 S-), it is argued that thiolates may reconstruct the An surface in such a way as to create a structure in which the increasing intermolecular interactions with increasing chain length may lead to head group displacements away from atop sites. (C) 2004 Elsevier B.V. All rights reserved

Topics: QD, QC
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