Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells

We present a theoretical investigation of copper complexes with potential applications as sensitizers for solar cells. The density functional theory (DFT) and time-dependent DFT were utilized, using the M06 hybrid meta-GGA functional with the LANL2DZ (D95V on first row) and DZVP basis sets. This level of calculation was used to find the optimized molecular structure, the absorption spectra, the molecular orbitals energies, and the chemical reactivity parameters that arise from conceptual DFT. Solvent effects have been taken into account by an implicit approach, namely, the polarizable continuum model (PCM), using the nonequilibrium version of the IEF-PCM model

(1RS,2RS)-4,4′-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium tetrachloridoplatinate(II) chloride

The title compound, (C12H16N3O)[PtCl4]Cl, consists of a 4,4′-(1-azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium trication, a square-planar tetrachloridoplatinate(II) dianion and a chloride ion. In the cation, the pyridinium rings attached to the central 1-azaniumyl-2-hydroxyethane fragment have an anti conformation, as indicated by the central C—C—C—C torsion angle of −166.5 (6)°, and they are inclined to one another by 63.5 (4)°. In the crystal, the cations and anions are linked through N—H...Cl and O—H...Cl hydrogen bonds. There are also π–π contacts [centroid–centroid distances = 3.671 (4) and 3.851 (4) Å] and a number of C—H...Cl interactions present, consolidating the formation of a three-dimensional supramolecular structure

Liberando a los cuestionarios de Moodle de los ordenadores

El uso de cuestionarios Moodle ha demostrado su eficacia como sistema de evaluación y autoaprendizaje en la docencia; sin embargo, su aplicación se restringe por la necesidad de emplear un ordenador por usuario limitándose su potencial uso dentro de las aulas y marcadamente en grupos numerosos.El uso de Sistema de Respuesta Personal (PRS) aplicados en Moodle libera estas limitaciones con requerimientos de hardware mínimos, favoreciendo el feedback y aportando información instantánea. En este trabajo se expone la forma de aplicar los PRS dentro de campus virtuales para los casos de uso en evaluación y aprendizaje significativo en clases.Peer Reviewe