Listar QF - Contribuciones a congresos científicos por título
Mostrando ítems 1-20 de 146
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2D-Delocalized vs Confined Diradicals
Casado-Cordón, Juan
(2019-07-17)
Diradicals are beautiful chemical objects where the more basic and intricate aspects of the chemical bonding are revealed.1 Not this being important enough, nowadays, diradical-based substrates are becoming very appealing ... -
About Helices and Solvents: VCD and more
Nieto-Ortega, Belén; Casado-Cordón, Juan; Ramírez, Francisco Javier (2017-03-10)
Intermolecular forces drive self-organization of molecules, which is ultimately the origin of most the physical and chemical phenomena in Nature. Molecules able to interact themselves by non-covalent forces, as hydrogen ... -
Analyzing thin film morphology by Resonance Raman spectroscopy
Ponce-Ortiz, Rocío; Harbuzaru, Alexandra; Gámez Valenzuela, Sergio; Ruíz-Delgado, María del Carmen; Wang, Yingfeng; Guo, Xugang[et al.] (2019-07-16)
Polymeric organic thin film transistors (OFETs) and all-polymer bulk heterojunction solar cells (all-PCS), which are composed of a polymer donor and a polymer acceptor, have attracted considerable attention in the last ... -
Bases espectroscópicas de la relación estructura-carácter birradical-propiedad en sistemas proaromáticos pi-conjugados derivados de p-QDM
En esta comunicación se estudia, mediante diversos tipos de espectroscopias y haciendo hincapié en la espectroscopia Raman, el efecto que modificaciones estructurales como el aumento de la longitud de la cadena o la ... -
Benzotrithiophenes vs. Benzo/Naptha-dithiophenes: The Effect of Star-Shaped versus Linear Conjugation on Their Electronic Structures
Arrechea-Marcos, Iratxe; Ponce-Ortiz, Rocío; Riaño, Alberto; Mayorga-Burruezo, Paula; Loser, S.; Mancheño, María José; Facchetti, Antonio; Marks, T.J.; Casado-Cordón, Juan; López-Navarrete, Juan Teodomiro; Segura, J.L.[et al.] (2015-07-30)
Star-shaped complexes of π-conjugated chromophores are currently of great interest for use in optoelectronic devices.1 Recently, different planar central cores involving three thiophene rings fused to a benzenic ring (BTTs) ... -
Cálculos DFT en materiales orgánicos conjugados: importancia en el análisis de los datos experimentales
González-Cano, Rafael C.; López-Navarrete, Juan Teodomiro; Ruíz-Delgado, María del Carmen (2017-12-22)
Actualmente, y cada vez con mayor intensidad, los materiales orgánicos policonjugados se están erigiendo como la alternativa ecológica real al uso de silicio en materiales para dispositivos electrónicos. Este hecho se debe ... -
Camouflaged Holes Assist Negative Charge Motion in Radical-Anion Molecular Wires
Mayorga-Burrezo, Paula; Franco, Carlos; Lloveras, Vega; Caballero, Ruben; Alcón, Isaac; Bromley, Stefan; Mas-Torrent, Marta; Langa, Fernando; López-Navarrete, Juan Teodomiro; Rovira, Concepciò; Casado-Cordón, Juan; Veciana, Jaume[et al.] (2016-10-06)
Charge transfer in molecular wires over varying distances is a subject of great interest in the field of molecular electronics. By increasing the distance between the electroactive centers, transport mechanisms generally ... -
Caracterización de sistemas basados en carbazol con transformación reversible entre birradical aislado y σ-agregados
Badía-Domínguez, María Irene; Gámez-Valenzuela, Sergio; Capel-Ferrón, Cristina; Ponce-Ortiz, Rocío; López-Navarrete, Juan Teodomiro; Hernández-Jolín, Víctor; Hartl, Frantisek; Li, Hongxiang; Ruíz-Delgado, María del Carmen[et al.] (2017-07-03)
El desarrollo de la química de moléculas orgánicas π-conjugadas que tienen una capa de valencia que no está completamente llena, también conocidas como sistemas de capa abierta, ha atraído mucho interés en estos últimos ... -
Carbazole and indolcarbazole-based systems: impact of the structural changes on the system properties
Badía-Domínguez, María Irene; Hartl, Frantisek; Li, Hongxiang; Seki, Shu; Sakamaki, Daisuke; Negri, Fabrizia; López Navarrete, Juan T.; Hernández-Jolín, Víctor; Ruíz-Delgado, María del Carmen[et al.] (2022)
π-Conjugated diradical compounds, featuring unique unsaturated valences and radical centres in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications ... -
Carbazole-based biradicaloids as potential building blocks for dynamic covalent chemistry
Ruíz-Delgado, María del Carmen (2018-12-18)
Pi-conjugated biradical compounds become essential building blocks in DCC (dynamic covalent chemistry).1 This field is based on the creation of structural scaffolds based on chemical components which interact through strong ... -
Chameleon-like behaviour of cyclo[n]paraphenylenes in complexes with C70: on their impressive electronic and structural adaptability as probed by Raman spectroscopy
Casado-Cordón, Juan (2014-09-11)
A series of four 1:1 host-guest supramolecular complexes of [n]CPPs and C70 have been analyzed by Raman spectroscopy in solid state and complemented with the analysis of their spectroscopic responses under mechanical and ... -
Charge transfer in the nanoscale and SERS: understanding the huge efficiency of the electrode potencial in tuning the CT states
Centeno-Benigno, Silvia Patricia; Ruano, Cristina; Roman-Perez, Jessica; López-Tocón, Isabel; Soto-Martín, Juan; Otero-Fernández-de-Molina, Juan Carlos[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 Mantas, Samuel; Aranda Ruiz, Daniel; López-Tocón, Isabel; Soto-Martín, Juan; Otero-Fernández-de-Molina, Juan Carlos; Ávila-Ferrer, Francisco José[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 ... -
Chiroptical Spectroscopy of C3 Molecules
Nieto-Ortega, Belén; Casado-Cordón, Juan; López-Navarrete, Juan Teodomiro; Ramírez, Francisco Javier (2016-04-22)
The relevance of molecules with C3 symmetry comes from the fact of many of them, upon assembling as columnar helical macromolecules, are ideal platform for electro-optical devices, for example as liquid crystals. The ... -
Comparative study of different theoretical approaches for modeling the dependence of the SERS vibrational wavenumbers on the electrode potential
Aranda Ruiz, Daniel; Valdivia Mantas, Samuel; Soto-Martín, Juan; López-Tocón, Isabel; Ávila-Ferrer, Francisco José; Otero-Fernández-de-Molina, Juan Carlos[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 ... -
Comparative Study of p-Aminothiophenol Adsorption by Surface-Enhanced Raman Spectroscopy
López-Ramírez, María Rosa; Fernández, María de la Cabeza; Alvear-Fernández, Alexis; Contreras-Cáceres, Rafael (2023-03-28)
The organic compound p-aminothiophenol (PATP, HS-Ph-NH2) has become very popular for checking the enhancement capability of novel substrates due to its very intense SERS spectra. SERS of PATP on metal nanoparticles is ... -
Computational study of coronoid carbazole based Macrocycles: influence of isomerism.
Muñoz Alba, Fernando; Badía-Domínguez, María Irene; Sancho García, Juan Carlos; Ruiz-Delgado, María del Carmen (2023)
Carbazole (Cz) units have been recognized as crucial conjugated cores in organic electronics due to their good electro- and photoactive properties, such as high hole-transporting mobilities, when compared to other heterocycles. ... -
A computational study of the vibrationally-resolved electronic circular dichroism spectra of single-chain transoid and cisoid oligothiophenes in chiral conformations
Aranda Ruiz, Daniel; Cerezo Bastida, Javier; Pescitelli, Gennaro; Ávila-Ferrer, Francisco José; Soto-Martín, Juan; Santoro, Fabrizio[et al.] (2019-07-19)
Chiral polythiophenes (PTs) are interesting as organic electronics materials because of their optoelectronic properties, which may arise from ordered supramolecular packings. Chiroptical techniques like ECD can detect these ... -
Cyclic Triindoles and Tetraindoles: Substituent and Symmetry Effects on their Structural and Electronic Characteristics
Ruíz-Delgado, María del Carmen; Ruiz, Constanza; López-Navarrete, Juan Teodomiro; Gómez-Lor, Berta (2016-10-07)
During the last decade heptacyclic 10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole (triindole) has been extensively studied as a new π-conjugated platform in the construction of self-assembling materials for optoelectronics. ... -
Cyclophane self-assembly from carbazole-based diradicals
Badía-Domínguez, María Irene; Hartl, Franktišek; Hongxiang, Li; Shu, Seki; López-Navarrete, Juan Teodomiro; Hernández-Jolín, Víctor; Ruíz-Delgado, María del Carmen[et al.] (2022-06-30)
The investigation of π-conjugated diradical compounds, featuring radical centers in the ground state, is key to understanding the nature of chemical bonds.[1] Occasionally, these systems can form long σ C-C bonds between ...