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dc.contributor.authorEl-Sayed, Afaf-
dc.contributor.authorMowbray, Duncan J.-
dc.contributor.authorGarcía-Lastra, J. M.-
dc.contributor.authorRogero, Celia-
dc.contributor.authorGoiri, Elizabeth-
dc.contributor.authorBorghetti, Patrizia-
dc.contributor.authorTurak, A.-
dc.contributor.authorDoyle, Bryan P.-
dc.contributor.authorDell’Angela, Martina-
dc.contributor.authorFloreano, Luca-
dc.contributor.authorWakayama, Yutaka-
dc.contributor.authorRubio, Angel-
dc.contributor.authorOrtega, J. Enrique-
dc.contributor.authorOteyza, Dimas G. de-
dc.date.accessioned2012-06-05T13:09:35Z-
dc.date.available2012-06-05T13:09:35Z-
dc.date.issued2012-
dc.identifierdoi: 10.1021/jp211749g-
dc.identifierissn: 1932-7447-
dc.identifier.citationJournal of Physical Chemistry C 116(7): 4780-4785 (2012)-
dc.identifier.urihttp://hdl.handle.net/10261/50875-
dc.description.abstractModel donor-acceptor assemblies at metal-organic interfaces, namely, fluorinated copper-phthalocyanines (F 16CuPC) and pentacene (PEN) assemblies on the Au(111) surface, have been the focus of the present study. A full picture of the crystallographic and electronic structure of PEN and F 16CuPC monolayers as well as of their 1:1 binary mixture on the Au(111) surface has been explored by means of a variety of surface-sensitive techniques, providing important information on the intermolecular and molecule-substrate interactions governing the self-assembly process. A long-range ordered donor-acceptor network is observed for the mixture as a result of the greatly enhanced intermolecular interaction via C-F···H-C hydrogen bonds. Interestingly, the new supramolecular structure involves changes in the electronic structure of the molecular components. In particular, the strongest changes are observed at the C and F atoms of the F 16CuPc, as opposed to the F 16CuPc N, Cu, or PEN C atoms. With the aid of theoretical calculations, such effects are found to be at least partially related to an upward shift in energy of the F 16CuPc molecular orbitals, concomitant with a molecule-to-metal charge donation, not from the HOMO, but deeper lying orbitals. © 2012 American Chemical Society.-
dc.description.sponsorshipThis work was supported by the Spanish MICINN (MAT2010-21156-C03-01, C03-03, PIB2010US-00652) and the Basque Government (IT-257-07). The SRC is funded by the National Science Foundation (award no. DMR-0084402). B.P.D. thanks the ICTP (Trieste) for travel funding. The research leading to these results has received funding from the European Community’s Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 226716. The research leading to these results has received funding from the European Community’s Seventh Framework Programme (FP7/2007- 2013) through the Integrated Infrastructure Initiative “European Light Sources Activities − Synchrotrons and Free Electron Lasers” (grant agreement no. 226716).-
dc.language.isoeng-
dc.publisherAmerican Chemical Society-
dc.relationinfo:eu-repo/grantAgreement/EC/FP7/226716-
dc.relation.isversionofPostprint-
dc.rightsopenAccess-
dc.titleSupramolecular environment-dependent electronic properties of metal-organic interfaces-
dc.typeartículo-
dc.identifier.doi10.1021/jp211749g-
dc.relation.publisherversionhttp://dx.doi.org/10.1021/jp211749g-
dc.date.updated2012-06-05T13:09:36Z-
dc.description.versionPeer Reviewed-
dc.contributor.funderMinisterio de Ciencia e Innovación (España)-
dc.contributor.funderEuropean Commission-
dc.contributor.funderNational Science Foundation (US)-
dc.contributor.funderEusko Jaurlaritza-
dc.identifier.funderhttp://dx.doi.org/10.13039/501100004837es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100000780es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/100000001es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003086es_ES
dc.type.coarhttp://purl.org/coar/resource_type/c_6501es_ES
item.openairetypeartículo-
item.cerifentitytypePublications-
item.fulltextWith Fulltext-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
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