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(<italic>E</italic>)-<italic>N</italic>′-(2-Nitrobenzylidene)-benzenesulfonohydrazide was prepared from 2-nitrobenzaldehyde and benzenesulfonylhydrazine by using a condensation method and applied as a selective As<sup>3+</sup>sensor.
It is of significant importance to develop effective non-noble-metal catalysts for hydrogen evolution electrocatalysis under basic conditions. In this study, we demonstrate the facile construction of a Ni<sub>2</sub>P-CeO<sub>2</sub> interface based on the central point that low-temperature phosphidation of the NiO-CeO<sub>2</sub> precursor only converts NiO into Ni<sub>2</sub>P selectively. The resulting Ni<sub>2</sub>P-CeO<sub>2</sub> nanosheet array on Ti mesh behaves as a durable catalyst for alkaline hydrogen evolution reaction (HER) electrocatalysis, and it can reach 20 mA cm<sup>-2</sup> at an overpotential of 84 mV in 1.0 M KOH, outperforming all reported Ni phosphide HER catalysts. Density functional theory calculations reveal that the Ni<sub>2</sub>P-CeO<sub>2</sub> interface can promote water dissociation and optimize hydrogen adsorption free energy.
Abstract Review: 123 refs.
With respect to the planar five-membered ring of the title compound, C(16)H(15)N(3)O(2)S, the phenyl ring is aligned at 47.0 (1)° and the phenyl-ene ring at 37.6 (1)°. The amino group has the N atom in a pyramidal geometry; the group is a hydrogen-bond donor to the sulfonyl O atom of one mol-ecule and to the pyrazole N atom of another mol-ecule, resulting in the formation of a layer parallel to the bc plane.
A bis-chalcone has been synthesized by reaction of 3-acetyl-2,5-dimethylfuran and terephthalaldehyde in ethanolic NaOH at room temperature: (2E,2'E)-3,3'-(1,4-phenylene)bis(1-(2,5-dimethylfuran-3-yl)prop-2-en-1-one) (3) was obtained in high yield. The structure of this compound was established by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
In the title compound, C(14)H(10)O(2), the five-membered ring of the inden-1-one residue is almost planar (r.m.s. deviation = 0.035 Å). A twist about the single bond linking the two residues is evident [C-C-C-C torsion angle = -13.2 (5)°]. The three-dimensional architecture is stabilized by C-H⋯O (involving the trifurcated carbonyl O atom), C-H⋯π and π-π inter-actions [between the five- and six-membered rings of inden-1-one residues; ring centroid-centroid distance = 3.7983 (17) Å]. The sample studied was a non-merohedral twin; the minor component refined to approximately 36%.
The donor organic sensitizers and acceptor inorganic part (e.g. TiO2 nanoparticles) gained significant attention in the field of photo-excitation, electrochemistry and hetero-junction solar cells. In the present study structural, electronic and charge transport parameters have been calculated with respected to benzothiazole- and indole-based squaraine dyes as donor while Si/TiO2 as acceptor then compared with previously studied hetero-junction solar cell materials. We have optimized the ground state geometries of benzothiazole- and indole-based squaraine dyes by density functional theory (DFT). The geometries of neutral, cation and anion species have been optimized by restricted and unrestricted B3LYP/6-31G** level of theories, respectively. The 2-3-(2-ethoxy-2- oxoethyl)benzo[d]thiazol-2(3H)-ylidene)methyl)-4-((3-(2-ethoxy-2-oxoethyl)benzo[d]-thiazol-3-ium-2-yl)methyl-ene)-3-oxocyclobut-1-enolate (BTSQD1) has been synthesized by our group. Moreover, we have designed derivatives of the benzothiazole-(BTSQD2 and BTSQD3 which have –COOH and –OCH3 at terminal –R positions, respectively) and indole-based squaraine dyes (ISQD1-ISQD3). The structures of the benzothiazole- and indole-based dyes investigated here are same except that in later ones the “sulfur” has been substituted by -C(CH3)2. We have compared the geometries, electronic properties, ionization potentials, electron affinities, reorganization energies, relationship between the energies of highest occupied molecular orbitals/lowest unoccupied molecular orbitals and open-circuit voltages (Voc), diagonal band gaps and short circuit current densities (Jsc), fill factors (FF) and factors affecting on the external quantum efficiency.
