Química Física - (QF)
Estas son las colecciones en las que puede catalogar la producción investigadora del departamento Química Física. Si considera que ninguna de estas se ajusta a su material pida una nueva colección en la sección de sugerencias.
Colecciones en esta comunidad
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Theoretical investigation of structural and electronic properties of truxene-based 2D polymers.
(2024)Recently, significant attention has been devoted to the design and synthesis of covalent organic frameworks (COFs) as semiconductor materials, which has emerged as an effective strategy to provide large electron ... -
Neutral and Anion Species of Quinoidal ThienothiopheneDiketopyrrolopyrroles Display a Common Aggregation Mode
(Wiley, 2024-10)A comprehensive investigation of two new molecular triads incorporating the diketopyrrolopyrrole unit into a quinoidized thienothiophene skeleton, which is further end-capped with dicyanomethylene (DPP-TT-CN) or phenoxyl ... -
Aggregation of one-dimensional wires: The case of long oligoynes
(Wiley, 2024)We show an unexpected aggregation phenomenon of a long oligoyne (Py[16]) with 16 contiguous triple bonds and endcapped with bulky 3,5-bi(3,5-bis-tert-butylphenyl)pyridine groups. Aggregation of 1D π-conjugated oligoyne ... -
Remembering the old propensity rules of the electromagnetic enhancement mechanism of SERS: reorientation of pyridine on silver electrode induced by the applied potential
(ACS, 2024)Electrochemical SERS of pyridine adsorbed on a silver electrode has been analyzed by comparing the spectra to the calculated normal Raman and resonance Raman intensities of model systems of pyridine bonded to linear silver ... -
Evidence as conformational molecular switch of 1,4-bis(4-vinylpyridyl)benzene adsorbed on a nanostructured silver surface: A synergetic study of femtosecond transient absorption spectra, electrochemical SERS records and DFT calculations
(Elsevier, 2024)The electrochemical surface-enhanced Raman spectra (SERS) of 1,4-bis(4-vinylpyridyl)benzene (bvpb) recorded at different electrode potentials with three excitation wavelengths (785, 532 and 473 nm) point out there exists ... -
Diradicals in the Origin of Chemical Reactions.
(2024)Diradicals in the Origin of Chemical Reactions S. Medina Rivero1, 2, J. Casado Cordón1 1 Univeristy of Málaga, Department of Physical Chemistry, Málaga, Spain 2 University of Sheffield, Department of Physics and Astronomy, ... -
Tuning the charge stabilization and transport in naphthalimide-based semiconductors via a fused-ring and core-engineering strategy
(2024-03-24)The synthesis and characterization of a family of rationally designed compounds based on naphtha- limide units attached, through conjugated nitrogenated linkers (i.e. pyrazine and imidazoline units), to fused thiophene-based ... -
Non-Kasha phosphorescence: the role of azulene and carbazole.
(2024)Organic electronics have the capabilities to replace inorganic semiconductors in electronic devices. Hence, it is important to pay attention to organic molecular structure, i.e. π conjugation and aromaticity, to achieve ... -
Triplet formation inhibits amplified spontaneous emission in perylene-based polycyclic aromatic hydrocarbons
(2024-02-26)Polycyclic aromatic hydrocarbons (PAHs) have demonstrated potential as active laser materials, showing good amplified stimulated emission (ASE) properties. However, the molecular origin of their ASE properties is still ... -
Deslocalización π-Electrónica Multidimensional: desde Oligoinos 1D hasta Policiclos 2D y Cajas 3D.
(UMA Editorial, 2024)En esta Tesis Doctoral se aborda el estudio de moléculas orgánicas π-conjugadas de diferente naturaleza, con su conjugación extendiéndose en las distintas dimensiones 1D, 2D y 3D. En la introducción de esta Tesis se aborda ... -
Catalytic Arene-Norbornene Annulation (CANAL): An Empowering Chemistry to Hydrocarbon Ladder Materials.
(2024)We have developed a modular, efficient catalytic arene-norbornene annulation (CANAL) chemistry to construct hydrocarbon ladder molecules containing four-membered rings using bromoarenes and (oxa)norbornenes as building ... -
Linear vibronic coupling approach for surface-enhanced raman scattering: quantifying the charge-transfer enhancement mechanism
(ACS, 2024)The outstanding amplification observed in surface-enhanced Raman scattering (SERS) is due to several enhancement mechanisms, and standing out among them are the plasmonic (PL) and charge-transfer (CT) mechanisms. The ... -
Evaluación de la deslocalización de carga en semiconductores orgánicos basados en oligotiofenos mediante espectroscopía Raman: PI-dímeros, especies polarónicas y sistemas de valencia mixta.
(UMA Editorial, 2024)El objetivo fundamental de esta Tesis Doctoral se basa en el estudio de la deslocalización de carga, tanto a nivel intra- como intermolecular en diferentes tipos de sistemas: pi-dímeros, Sistemas de Valencia-Mixta e Hilos ... -
Técnicas basadas en pulsos ultracortos y su aplicación a la fotofísica/fotoquímica de cromóforos aromáticos sencillos.
(2024)La presentación proporcionará una visión general de los métodos basados en pulsos ultracortos, en particular de la técnica de absorción transitoria, que se han puesto apunto en el Servicio Láser SGIker de la Universidad ... -
Dicyanomethylene-substituted indolocarbazole diradicals: Investigating their challenging chemical reactivity and physical properties.
(2024)π-Conjugated diradical compounds, with unpaired electrons in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications in material science[1]. It has been ... -
Hydrogen-bonding as a strategy for charge stabilization in organic field effect transistors.
(2024)Organic materials have proven to be efficient active materials in electronic devices, such as organic field effects transistors (OFETs) or organic solar cells. The versatility of organic synthesis allows us to endow small ... -
Diabatic Approach for SERS: From Quantum Dynamics to Spectra.
(2024)SERS (Surface-Enhanced Raman Spectroscopy) has established itself as an important characterization technique, owing to both its characteristically high intensities and the large amount of information it is capable of ... -
Dirradicales y Monorradicales Derivados de la Fusión de s-Indaceno y Bisfenileno con Formas Quinoides y Antiaromáticas. Mecanismos de Deslocalización Electrónica
(UMA Editorial, 2024)La tesis aborda un tema de gran actualidad y relevancia como es el estudio en profundidad de sistemas dirradicalarios y monorradicalarios carbonados, que presentan posibles aplicaciones en campos de interés como espintrónica ... -
V shaped Tröger oligothiophenes boost triplet formation by ct mediation and symmetry breaking
(ACS, 2023-12-20)A new family of molecules obtained by coupling Tröger's base unit with dicyanovinylene-terminated oligothiophenes of different lengths has been synthesized and characterized by steady-state stationary and transient ... -
Donor-acceptor truxene-based porous polymers: synthesis, optoelectronic characterization and defense-related applications
(Wiley, 2024-02-08)Four donor-acceptor (D-A) polymers are synthesized by combining two different electron donors (truxene and its more electron rich triaza analogue, triindole) with an electron-deficient monomer (benzothiadiazole) through ...