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dc.contributor.author
Para, Maria Laura  
dc.contributor.author
Linarez Pérez, Omar Ezequiel  
dc.contributor.author
Rojas, Mariana Isabel  
dc.contributor.author
Lopez Teijelo, Manuel  
dc.date.available
2018-06-28T17:48:42Z  
dc.date.issued
2016-03-17  
dc.identifier.citation
Para, Maria Laura; Linarez Pérez, Omar Ezequiel; Rojas, Mariana Isabel; Lopez Teijelo, Manuel; Experimental and vdW-DFT Study of the Structure, Properties, and Stability of Isonicotinic Acid Self-Assembled Monolayers on Gold; American Chemical Society; Journal of Physical Chemistry C; 120; 8; 17-3-2016; 4364-4372  
dc.identifier.issn
1932-7447  
dc.identifier.uri
http://hdl.handle.net/11336/50419  
dc.description.abstract
Self-assembling of derivatized aromatic molecules on metals is of interest in the generation of modified surfaces with ionizable groups in order to generate charged surfaces for constructing more complex nanostructured interfaces. In the present contribution we explore the structure, properties, and stability of isonicotinic acid (INA) adsorbed on gold surfaces employing electrochemical and spectroscopic methods as well as DFT calculations at the level of van der Waals interactions (vdW-DFT). Electrochemical results show changes in the kinetics of redox probes due to the self-assembled monolayers (SAMS) formation on the gold surface. Furthermore, SERS experiments indicate that INA species adsorb on gold perpendicularly to the surface through the deprotonated carboxylate group. In addition, due to the ionizable groups involved in the molecular anchorage, some instability of the SAMS of INA is obtained by pH modification of the chemical environment. On the other hand, theoretical calculations indicate that a strong interaction of the carboxylate group to the gold surface at the bridge sites takes place, and the adsorbed species have sufficient mobility at room temperature. The effect of the coverage and the stability of the SAMS are also reported.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Chemical Society  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Isonicotinic Acid  
dc.subject
Experimental  
dc.subject
Theoretical  
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Monocrystalline Gold  
dc.subject.classification
Otras Ciencias Químicas  
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Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Experimental and vdW-DFT Study of the Structure, Properties, and Stability of Isonicotinic Acid Self-Assembled Monolayers on Gold  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2018-06-11T12:57:54Z  
dc.journal.volume
120  
dc.journal.number
8  
dc.journal.pagination
4364-4372  
dc.journal.pais
Estados Unidos  
dc.journal.ciudad
Washington  
dc.description.fil
Fil: Para, Maria Laura. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina  
dc.description.fil
Fil: Linarez Pérez, Omar Ezequiel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina  
dc.description.fil
Fil: Rojas, Mariana Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina  
dc.description.fil
Fil: Lopez Teijelo, Manuel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina  
dc.journal.title
Journal of Physical Chemistry C  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpcc.5b11146  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b11146