Listar QF - Contribuciones a congresos científicos por título
Mostrando ítems 21-40 de 126
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Diradical-mediated weak intermolecular sigma bond formation. Influence of the quinoidal-to-aromatic interplay on the giant and reversible chromism of a novel thienoquinoidal derivative
(2014-10-06)En esta comunicación se presenta el estudio espectroscópico y teórico de un nuevo derivado de naftoditiofeno que presenta una gran variación del color al aplicarle diversos estímulos muy débiles (Temeperatura, presión, ... -
Diradicaloids from [4n] antiaromatic circuits
(2022-03)Diradicaloid molecules[1] represent cornerstone systems to explore the nature of the chemical bond and the validity of its theories. Recently, they have also gained relevance as multipurpose substrates for organic electronic ... -
Diradicals and their driving forces
(2019-01-08)Several series of aromatic and quinoidal compounds, such as oligothiophenes (Scheme 1), oligophenylene-vinylenes, oligoperylenes (oligophenyls) and graphene nanoribbon derivatives, are studied in the common context of the ... -
Donor-acceptor polymers for applications in organic electronics and photovoltaics
(2013-09-26)We have synthesized a new series of high-mobility polymeric semiconductors with good processability and excellent environmental stability for organic electronics and photovoltaics. Using these materials, solar cells were ... -
Effect of different excitation wavelength on SERS spectra of pyridine
(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 graphene substrate on the SERS Spectra of Aromatic bifunctional molecules on metal nanoparticles
(2016-06-27)The design of molecular sensors plays a very important role within nanotechnology and especially in the development of different devices for biomedical applications. Biosensors can be classified according to various ... -
Effect of the electrode potential on surface-enhanced Raman intensities of 2-methylpyrazine
(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
(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
(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 ... -
Elaboración de rúbricas de evaluación y revisión del repositorio de Prácticas de Laboratorio del Área de Química
(2019-06-18)Las asignaturas del área de Química que contienen una parte importante de Prácticas de Laboratorio, como las que se pueden encontrar fácilmente en los Grados de Ciencias Experimentales, son el foco de atención de esta ... -
Electrochemical SERS spectra of isonicotinic acid analyzed under a photoinduced charge-transfer mechanism
(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 ... -
Electronic properties of Naphthalimide derivatives
(2021-12)Molecular systems have proven to be efficient active materials in electronics, making then suitable substitutes of the inorganic semiconductors used nowadays in electronic devices. For this reason, organic electronics has ... -
Electronic properties of new polycyclic aromatic mono and dicarboximides
(2022-06)A series of nitrogen-doped polycyclic aromatic mono and dicarboximides (PADI) has been synthesized. Their interest lies in the fact that, unlike other PADI systems, this new family of compounds was synthesized by an ... -
Estudio de estados excitados y deslocaclización de carga en oligotiofenos ramificados
(2013-07-30)Los politiofenos ramificados tridimensionales (3D) y oligotiofenos dendriméricos han sido recientemente desarrollados en la búsqueda de mejoras en los materiales para aplicaciones fotovoltaicas (por ejemplo, un mayor área ... -
Estudio del efecto fotocrómico reversible de un sistema quinoide basado en carbazol
(2017-07-03)Hoy en día, el uso de materiales de naturaleza orgánica se presenta como un recurso ecológico y asequible para el diseño de dispositivos electrónicos. Entre ellos, los materiales sensibles a estímulos tienen además numerosas ... -
Evaluating the Role of Intermolecular Interactions in pi-conjugated Materials: What can we learn from DFT calculations and Raman Spectroscopy
(2019-05-29)For practical applications in sensors, dynamic covalent chemistry and molecular (photochromic) switches, soft conjugated materials can be envisaged as promising functional materials.1 To advance in this research field, ... -
Exploring the regioselectivity for the cycloaddition of azides to alkynes catalyzed by dinuclear copper clusters (Cu2AAC) with the topology of 2rho(r) and 2rho(r)
(2015-06-16)This study constitutes an extension of a previous research on the regioselectivity of the copper catalyzed cycloaddition of azides to alkynes (1) (the CuAAC reaction) by Quantum Chemical Topological methods. In particular, ... -
Formation of stimuli-responsive cyclophanes by self-assembly: the case of carbazole-based biradicals
(2019-01-16)Dynamic covalent bonds has recently received lot of attention because of their unique feature to become reversible under mild conditions.[1] In this context, π-conjugated biradical compounds has emerged as essential building ... -
Frequency shift on the potential-dependent surface-enhanced Raman scattering of pyridine: simplified models for metal and solvent effects
(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 ... -
Fundamentals and Applications of Surface-Enhanced Raman Spectroscopy (SERS)
(2019-05-16)When a molecule is adsorbed on some metallic nanostructured surfaces such as silver, copper or gold, it can undergo an enormous enhancement of the Raman signal giving rise to the so called Surface-Enhanced Raman Scattering ...