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dc.contributor.authorSaiz-Poseu, Javier-
dc.contributor.authorMartínez-Otero, Alberto-
dc.contributor.authorRoussel, Thomas J.-
dc.contributor.authorHui, Joseph K.-H.-
dc.contributor.authorMontero, Mavis L.-
dc.contributor.authorFaraudo, Jordi-
dc.contributor.authorRuiz Molina, Daniel-
dc.identifierdoi: 10.1039/C2CP41407D-
dc.identifierissn: 1463-9076-
dc.identifiere-issn: 1463-9084-
dc.identifier.citationPhysical Chemistry Chemical Physics 14(34): 11937-11943 (2012)-
dc.description.abstractThis combined experimental (STM, XPS) and molecular dynamics simulation study highlights the complex and subtle interplay of solvent effects and surface interactions on the 2-D self-assembly pattern of a Schiff-base macrocycle containing catechol moieties at the liquid-solid interface. STM imaging reveals a hexagonal ordering of the macrocycles at the n-tetradecane/Au(111) interface, compatible with a desorption of the lateral chains of the macrocycle. Interestingly, all the triangular-shaped macrocycles are oriented in the same direction, avoiding a close-packed structure. XPS experiments indicate the presence of a strong macrocycle-surface interaction. Also, MD simulations reveal substantial solvent effects. In particular, we find that co-adsorption of solvent molecules with the macrocycles induces desorption of lateral chains, and the solvent molecules act as spacers stabilizing the open self-assembly pattern. This journal is © 2012 the Owner Societies.-
dc.description.sponsorshipD.R.-M, J.F. and T.R. thank the Ministerio de Ciencia for financial support through projects MAT2009-13977-C03, FIS2009-13370-C02-02 and CONSOLIDER-NANOSELECTCSD2007-00041. T.R. is supported by a JAEdoc contract co-funded by CSIC and the EU.-
dc.publisherRoyal Society of Chemistry (UK)-
dc.titleSelf-assembly of a catechol-based macrocycle at the liquid-solid interface: experiments and molecular dynamics simulations-
dc.description.versionPeer Reviewed-
dc.contributor.funderMinisterio de Ciencia e Innovación (España)-
dc.contributor.funderEuropean Commission-
dc.contributor.funderConsejo Superior de Investigaciones Científicas (España)-
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