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Listar por autor "López-Tocón, Isabel"
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Charge transfer in the nanoscale and SERS: understanding the huge efficiency of the electrode potencial in tuning the CT states
Centeno, Silvia; Ruano, Cristina; Roman-Perez, Jessica; López-Tocón, Isabel; Soto-Martin, Juan; [et al.] (2014-09-10)This work deals with the unexplained efficiency of the electrode potential in tuning the energy of the CT states of hybrid systems formed by molecules and metallic nano structures. Huge energy gain up to 5eV/V observed in ... -
Charge Transfer mechanism in the Surface Enhanced Raman Scattering of 2,2'-bipyridine recorded on a silver electrode
Valdivia, Samuel; Aranda, Daniel; López Tocón, Isabel; Soto-Martin, Juan; Otero-Fernandezde-Molina, Juan Carlos; [et al.] (2018-07-17)Nowadays, Surface Enhanced Raman Spectroscopy (SERS) has become a powerful technique to investigate the electronic structure of surface-molecule hybrid systems due to the huge enhancement of the Raman signal. It is established ... -
Comparative study of different theoretical approaches for modeling the dependence of the SERS vibrational wavenumbers on the electrode potential
Aranda, Daniel; Valdivia, Samuel; Soto-Martin, Juan; López-Tocón, Isabel; Avila, Francisco J.; [et al.] (2019-07-25)Surface-enhanced Raman scattering (SERS) is a powerful technique to study the electronic structure of charged metal-molecule interfaces, which are relevant in many fields like electrochemistry, heterogeneous catalysis or ... -
Effect of different excitation wavelength on SERS spectra of pyridine
López Tocón, Isabel; Aranda, Daniel; Avila, Francisco J.; Soto-Martin, Juan; Otero-Fernandezde-Molina, Juan Carlos (2018-05-14)SERS spectra of pyridine has been already recorded on a silver electrode in a potential range from 0.0 to -1.40 V with a saline solution, pyridine / KCl (0.1M / 0.1M), by using the 514.5 nm exciting line. Under these ... -
Effect of the electrode potential on surface-enhanced Raman intensities of 2-methylpyrazine
López-Tocón, Isabel; Centeno, Silvia; Román-Pérez, Jessica; Otero-Fernandezde-Molina, Juan Carlos (2014-05-30)The effect of the electrode potential on Surface Enhanced Raman Scattering (SERS) intensities of 2-methylpyrazine (2MP) recorded under resonant charge transfer (CT) conditions is analyzed by using a simple theoretical model ... -
Elaboración de material mutimedia y uso de un entorno virtual en el proceso de enseñanza-aprendizaje de las prácticas de laboratorio en Química Física
López-Tocón, Isabel (2017-06-16)Haciendo uso de las nuevas tecnologías, como es la plataforma educativa Moodle, se ha desarrollado una nueva estrategia didáctica más activa y dinámica en la impartición de las prácticas de laboratorio en asignaturas ... -
Elaboración de pruebas de conocimiento en un entorno virtual como método de evaluación continua
López-Tocón, Isabel; Centeno, Silvia; Soto-Martin, Juan; Otero-Fernandezde-Molina, Juan Carlos (2015-06-22)Se ha realizado una serie de pruebas de conocimiento o cuestionarios, dentro de la plataforma Moodle, como método de evaluación continua de la asignatura de Química Física General que se imparte en el primer curso del Grado ... -
Electrochemical SERS spectra of isonicotinic acid analyzed under a photoinduced charge-transfer mechanism
López-Tocón, Isabel; Román-Pérez, Jessica; Soto-Martin, Juan; Otero-Fernandezde-Molina, Juan Carlos (2014-05-28)Isonicotinic (IN) acid is one of the three monocarboxilic derivatives of pyridine in which the acid group is located in para-position of the heterocyclic ring. It is a weak acid (pK2=4.86) and therefore, it is not completely ... -
Espectroscopía computacional de sistemas complejos: superficies metal-molécula y moléculas semirrígidas
Aranda Ruiz, Daniel (UMA Editorial, 2019-11)Las técnicas espectroscópicas son de gran utilidad para obtener información a nivel atómico y molecular sobre los sistemas en estudio. Para su correcta interpretación, estos resultados deben ser apoyados por cálculos ... -
Frequency shift on the potential-dependent surface-enhanced Raman scattering of pyridine: simplified models for metal and solvent effects
Aranda, Daniel; López-Tocón, Isabel; Soto-Martin, Juan; Otero-Fernandezde-Molina, Juan Carlos; Avila, Francisco J. (2018-07-18)The electronic structure of adsorbates is altered when it interacts with a surface, modifying the properties of both entities and giving rise to interesting phenomena related to heterogeneous catalysis or molecular ... -
Modeling the effect of the electrode potential in SERS by electronic structure calculations.
Avila, Francisco J.; Aranda, Daniel; Román-Pérez, Jéssica; López-Ramírez, María Rosa; López-Tocón, Isabel; [et al.] (2018-07-18)Surface Enhanced Raman Spectroscopy (SERS), due to the ability of greatly intensify the weak Raman signal of molecules adsorbed to metal surfaces, has proven to be a very useful tool to investigate changes in the electronic ... -
An MS-CASPT2 Study of the Photodecomposition of 4- Methoxyphenyl Azide. Role of Internal Conversion and Intersystem Crossing
Aranda, Daniel; Ávila, Francisco J.; López-Tocón, Isabel; Arenas, Juan F.; Otero-Fernandezde-Molina, Juan Carlos; [et al.] (2019-02-13)Aryl azides photochemistry is strongly dependent on the substituent relative position, as has been studied by time resolved resonant Raman (TR3) spectroscopy for 4-methoxyphenyl azide and its isomer 3-methoxyphenyl azide. ... -
Procesos de Resonancia Raman en Espectroscopía SERS
Román Pérez, Jessica (UMA Editorial, 2015)Se han estudiado diversas cuestiones fundamentales relacionadas con el origen de la enorme intensificación que experimenta el espectro Raman de una molécula situada en las proximidades de ciertas superficies metálicas. La ... -
Selection rules of surface-enhanced Raman scattering: the role of the out-of-plane vibrations
Aranda, Daniel; Valdivia, Samuel; Avila, Francisco J.; Soto-Martin, Juan; López-Tocón, Isabel; [et al.] (2019-07-25)The electromagnetic/plasmonic (SERS-PL) and the chemical (usually involving resonant photoinduced metal-adsorbate (M-A) charge transfer processes (SERS-CT:M-A+hn-->M+-A-)) mechanisms are recognized as the two main contributions ... -
El SERS como sensor de pH en entornos nanométricos
López-Tocón, Isabel (2015-02-09)La Espectroscopia SERS (Surface-Enhanced Raman Spectroscopy) se caracteriza por la enorme intensificación de la señal Raman de una molécula cuando se encuentra en las proximidades de una superficie metálica rugosa a escala ... -
Surface-enhanced photoinduced charge transfer processes in metal-molecule nanoclusters
Centeno, Silvia; Ruano, Cristina; Román-Pérez, Jéssica; López-Tocón, Isabel; Soto-Martin, Juan; [et al.] (2013-10-29)This work deals with the unexplained efficiency of the electrode potential (EV) in tuning the energy of Charge Transfer (ECT) electronic states of hybrid systems formed by molecules and metal nanostructures. Huge energy ... -
The role of the electrolyte on the SERS spectra of pyridine
López-Tocón, Isabel; Soto-Martin, Juan; Otero-Fernandezde-Molina, Juan Carlos (2016-04-22)SERS spectra of pyridine has been recorded on a silver electrode in a potential range from 0.0 to -1.20 V with a saline solution, pyridine / KCl (0.1M / 0.1M), by using the 514.5 nm exciting line by us [1]. Under these ... -
Las TIC como elemento innovador en el proceso de enseñanza-aprendizaje de la asignatura de Química Física
López-Tocón, Isabel (2016-06-27)Se ha desarrollado un entorno virtual para la asignatura de Química Física General que se imparte en el primer curso del Grado en Química de la UMA, haciendo uso de la plataforma educativa Moodle. Se han creado diversos ... -
Using Surface-enhanced Raman scattering to probe the capacitance of metallic nanostructures
Centeno, Silvia; Ruano, Cristina; Román-Pérez, Jéssica; López-Tocón, Isabel; Otero-Fernandezde-Molina, Juan Carlos; [et al.] (2013)Though it is generally accepted that the electromagnetic mechanism related to the excitation of localized plasmons of the metal surface is the most important contribution in SERS, the chemical interaction between molecule ...