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Authordc.contributor.authorEtcheverry Berríos, Álvaro 
Authordc.contributor.authorOlavarría, Ignacio 
Authordc.contributor.authorPerrin, Mickael L. 
Authordc.contributor.authorDíaz Torres, Raúl 
Authordc.contributor.authorJullian, Domingo 
Authordc.contributor.authorPonce, Ingrid 
Authordc.contributor.authorZagal Moya, José H. 
Authordc.contributor.authorPavez, Jorge 
Authordc.contributor.authorVásquez, Sergio O. 
Authordc.contributor.authorvan der Zant, Herre S. J. 
Authordc.contributor.authorDulic, Diana 
Authordc.contributor.authorAliaga Alcalde, Nuria 
Authordc.contributor.authorSoler Jauma, Mónica 
Cita de ítemdc.identifier.citationChemistry-A European Journal. Volumen: 22 Número: 36 Páginas: 12808-12818es_ES
Abstractdc.description.abstractWe studied the electronic and conductance properties of two thiophene-curcuminoid molecules, 2-thphCCM (1) and 3-thphCCM (2), in which the only structural difference is the position of the sulfur atoms in the thiophene terminal groups. We used electrochemical techniques as well as UV/Vis absorption studies to obtain the values of the HOMO-LUMO band gap energies, showing that molecule 1 has lower values than 2. Theoretical calculations show the same trend. Self-assembled monolayers (SAMs) of these molecules were studied by using electrochemistry, showing that the interaction with gold reduces drastically the HOMO-LUMO gap in both molecules to almost the same value. Single-molecule conductance measurements show that molecule 2 has two different conductance values, whereas molecule 1 exhibits only one. Based on theoretical calculations, we conclude that the lowest conductance value, similar in both molecules, corresponds to a van der Waals interaction between the thiophene ring and the electrodes. The one order of magnitude higher conductance value for molecule 2 corresponds to a coordinate (dative covalent) interaction between the sulfur atoms and the gold electrodes.es_ES
Type of licensedc.rightsAttribution-NonCommercial-NoDerivs 3.0 Chile*
Link to Licensedc.rights.uri*
Sourcedc.sourceChemistry-A European Journales_ES
Keywordsdc.subjectHOMO-LUMO band gap energieses_ES
Keywordsdc.subjectdifferential pulse voltammetryes_ES
Keywordsdc.subjectdensity functional calculationses_ES
Títulodc.titleMultiscale Approach to the Study of the Electronic Properties of Two Thiophene Curcuminoid Moleculeses_ES
Document typedc.typeArtículo de revistaes_ES
Catalogueruchile.catalogadorC. R. B.es_ES
Indexationuchile.indexArtículo de publicación ISIes_ES

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Attribution-NonCommercial-NoDerivs 3.0 Chile
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivs 3.0 Chile