Methoxyquinolone-Benzothiazole Hybrids as New Aggregation-Induced Emission Luminogens and Efficient Fluorescent Chemosensors for Cyanide Ions.

This work describes the synthesis and characterization of new quinolone-benzothiazole hybrids, the study of their aggregation-induced emission (AIE) properties, and the use of these systems as efficient fluorescent probes for cyanide ions. These conjugated derivatives are linked through a double bond favoring electronic communication, and together with their planar geometry, can strongly aggregate under solvophobic environments, leading to aggregation and exhibiting significant AIE behavior. The double bond between electroactive units is prone to nucleophilic addition reactions by cyanide ions, selectively, conducive to turning off the fluorescence properties, making this hybrid system an efficient probe for cyanide ions.

Synthesis, characterization and supra-molecular analysis for ()-3-(pyridin-4-yl)acrylic acid.

The title compound, CHNO, crystallizes as prismatic colourless crystals in space group , with one mol-ecule in the asymmetric unit. The pyridine ring is fused to acrylic acid, forming an almost planar structure with an -configuration about the double bond with a torsion angle of -6.1 (2)°.

Triazine: An Important Building Block of Organic Materials for Solar Cell Application.

Since the beginning of the 21st century, triazine-based molecules have been employed to construct different organic materials due to their unique optoelectronic properties. Among their applications, photovoltaics stands out because of the current need to develop efficient, economic, and green alternatives to energy generation based mainly on fossil fuels. Here, we review all the development of triazine-based organic materials for solar cell applications, including organic solar cells, dye-sensitized solar cells, and perovskite solar cells.

A theoretical chemistry-based strategy for the rational design of new luminescent lanthanide complexes: an approach from a multireference SOC-NEVPT2 method.

Theoretical methods of the SOC-NEVPT2 type combined with a molecular fragmentation scheme have been proven to be a powerful tool that allows explaining the luminescence sensitization mechanism in Ln(III) coordination compounds through the antenna effect. In this work, we have used this strategy to predict luminescence in a family of compounds of the Eu(R-phen)(BTA)3 type where R-phen = 5-methyl-1,10-phenanthroline (Me-phen), 5-nitro-1,10-71 phenanthroline (Nitro-phen), 4,5-diazafluoren-9-one (One-phen), or 5,6-epoxy-5,6-dihydro-1,10-72 phenanthroline (Epoxy-phen); and BTA = fluorinated β-diketone. Possible sensitization pathways were elucidated from the energy difference between the ligand-centered triplet (T) states and the emissive excited states of the Eu(III) fragments (Latva rules).

Selenophene-Based Hole-Transporting Materials for Perovskite Solar Cells.

Two novel and simple donor-π-bridge-donor (D-π-D) hole-transporting materials (HTMs) containing two units of the p-methoxytriphenylamine (TPA) electron donor group covalently bridged by means of the 3,4-dimethoxyselenophene spacer through single and triple bonds are reported. The optoelectronic and thermal properties of the new selenium-containing HTMs have been determined using standard experimental techniques and theoretical density functional theory (DFT) calculations. The selenium-based HTMs have been incorporated in mesoporous perovskite solar cells (PSCs) in combination with the triple-cation perovskite [(FAPbI ) (MAPbBr ) ] [CsPbI ] .

Azatruxene-Based, Dumbbell-Shaped, Donor-π-Bridge-Donor Hole-Transporting Materials for Perovskite Solar Cells.

Three novel donor-π-bridge-donor (D-π-D) hole-transporting materials (HTMs) featuring triazatruxene electron-donating units bridged by different 3,4-ethylenedioxythiophene (EDOT) π-conjugated linkers have been synthesized, characterized, and implemented in mesoporous perovskite solar cells (PSCs). The optoelectronic properties of the new dumbbell-shaped derivatives (DTTXs) are highly influenced by the chemical structure of the EDOT-based linker. Red-shifted absorption and emission and a stronger donor ability were observed in passing from DTTX-1 to DTTX-2 due to the extended π-conjugation.

Synthesis and DFT Calculations of Novel Vanillin-Chalcones and Their 3-Aryl-5-(4-(2-(dimethylamino)-ethoxy)-3-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde Derivatives as Antifungal Agents.

Novel ()-1-(aryl)-3-(4-(2-(dimethylamino)ethoxy)-3-methoxyphenyl) prop-2-en-1-ones were synthesized by a Claisen-Schmidt reaction of 4-(2-(dimethylamino)ethoxy)-3-methoxy-benzaldehyde () with several acetophenone derivatives . Subsequently, cyclocondensation reactions of chalcones with hydrazine hydrate afforded the new racemic 3-aryl-5-(4-(2-(dimethylamino)ethoxy)-3-methoxyphenyl)-4,5-dihydro-1-pyrazole-1-carbaldehydes when the reaction was carried out in formic acid. The antifungal activity of both series of compounds against eight fungal species was determined.