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dc.contributor.author
Staffa, Jana K.
dc.contributor.author
Lorenz, Lisa
dc.contributor.author
Stolarski, Michael
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Murgida, Daniel Horacio
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Zebger, Ingo
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Utesch, Tillmann
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Kozuch, Jacek
dc.contributor.author
Hildebrandt, Peter
dc.date.available
2018-11-27T17:57:59Z
dc.date.issued
2017-10
dc.identifier.citation
Staffa, Jana K.; Lorenz, Lisa; Stolarski, Michael; Murgida, Daniel Horacio; Zebger, Ingo; et al.; Determination of the Local Electric Field at Au/SAM Interfaces Using the Vibrational Stark Effect; American Chemical Society; Journal of Physical Chemistry C; 121; 40; 10-2017; 22274-22285
dc.identifier.issn
1932-7447
dc.identifier.uri
http://hdl.handle.net/11336/65340
dc.description.abstract
A comprehensive understanding of physical and chemical processes at biological membranes requires the knowledge of the interfacial electric field which is a key parameter for controlling molecular structures and reaction dynamics. An appropriate approach is based on the vibrational Stark effect (VSE) that exploits the electric-field dependent perturbation of localized vibrational modes. In this work, 6-mercaptohexanenitrile (C5CN) and 7-mercaptoheptanenitrile (C6CN) were used to form self-assembled monolayers (SAMs) on a nanostructured Au electrode as a simple mimic for biomembranes. The C - N stretching mode was probed by surface enhanced infrared absorption (SEIRA) spectroscopy to determine the frequency and intensity as a function of the electrode potential. The intensity variations were related to potential-dependent changes of the nitrile orientation with respect to the electric field. Supported by electrochemical impedance spectroscopy, molecular dynamics simulations, and quantum chemical calculations the frequency changes were translated into profiles of the interfacial electric field, affording field strengths up to 4 × 108 V/m (C6CN) and 1.3 × 109 V/m (C5CN) between +0.4 and 0.4 V (vs Ag/AgCl). These profiles compare very well with the predictions of a simple electrostatic model developed in this work. This model is shown to be applicable to different types of electrode/SAM systems and allows for a quick estimate of interfacial electric fields. Finally, the implications for electric-field dependent processes at biomembranes are discussed.
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
Seira
dc.subject
Stark Effect
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Electric Fields
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Sams
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Otras Ciencias Químicas
dc.subject.classification
Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Determination of the Local Electric Field at Au/SAM Interfaces Using the Vibrational Stark Effect
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-10-23T18:28:34Z
dc.journal.volume
121
dc.journal.number
40
dc.journal.pagination
22274-22285
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Washington
dc.description.fil
Fil: Staffa, Jana K.. Technishe Universitat Berlin; Alemania
dc.description.fil
Fil: Lorenz, Lisa. Technishe Universitat Berlin; Alemania
dc.description.fil
Fil: Stolarski, Michael. Technishe Universitat Berlin; Alemania
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Fil: Murgida, Daniel Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
dc.description.fil
Fil: Zebger, Ingo. Technishe Universitat Berlin; Alemania
dc.description.fil
Fil: Utesch, Tillmann. Technishe Universitat Berlin; Alemania
dc.description.fil
Fil: Kozuch, Jacek. Technishe Universitat Berlin; Alemania
dc.description.fil
Fil: Hildebrandt, Peter. Technishe Universitat Berlin; Alemania
dc.journal.title
Journal of Physical Chemistry C
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/acs.jpcc.7b08434
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1021/acs.jpcc.7b08434
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