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Novel germanium-based σ-π conjugated oligourethanes containing dibenzofuran moieties in the backbone: Thermal, optical, electronic properties and theoretical simulations (2021)
(Elsevier Ltd, 2021-04-05)
In the search of new photoactive materials for light-emitting applications, two new germanium-based oligourethanes (PUGe-27 and PUGe-28) were synthesized from 4,4́-(diphenylgermarylene)bis(phenyl chloroformate) (1) and ...
Revising the formation and electronic properties in flavylium derivatives. A theoretical tandem towards optimized DSSCs (2021)
(Royal Society of Chemistry, 2021-03-07)
We attempted to describe a set of flavylium derivative molecules through quantum density functional methods, which may lead to a better understanding of the physicochemical properties of these organic systems. Consequently, ...
The role played by structural and energy parameters of β-Diketones derivatives as antenna ligands in Eu(III) complexes (2021)
(Elsevier B.V., 2021-06-16)
Structural and energy parameters role of six β-diketone antennas (symmetry, bulkiness, quenching bonds, donor groups and coordination) were analyzed. Six β-diketone derivatives and its complexes Eu(Phen)(X)3 and Gd(Phen)(X)3(X ...
Electro-reduced graphene oxide nanosheets coupled with RuAu bimetallic nanoparticles for efficient hydrogen evolution electrocatalysis (2021)
(Elsevier B.V., 2021-10-01)
Electrocatalytic Hydrogen Evolution Reaction (HER) in water electrolysis holds a great promise for sustainable hydrogen production but the preparation of an efficient and stable catalyst is remained challenging. Herein, a ...
Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2Thin Films as Antimicrobial Agents under Visible Irradiation: A Combined DFT and Experimental Study (2021)
(American Chemical Society, 2021)
In this article, we studied the antimicrobial activity of TiO2 sensitized by the Zn(II)-tetracarboxy-phthalocyanine (TcPcZn) complex using TiO2-Degussa P25 as a semiconductor source. The TiO2 thin films were deposited by ...
Modulation of CO2adsorption in novel pillar-layered MOFs based on carboxylate-pyrazole flexible linker (2021)
(Royal Society of Chemistry, 2021-02-28)
Metal-organic frameworks (MOFs) have attracted significant attention as sorbents due to their high surface area, tunable pore volume and pore size, coordinatively unsaturated metal sites, and ability to install desired ...
Photodynamic effect of 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin and (Zn2+ and Sn4+) derivatives against Leishmania spp in the promastigote stage: experimental and DFT study (2021)
(Springer Science and Business Media Deutschland GmbH, 2021)
In this work, we synthesized the meso-(aryl) porphyrin derivative 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin (TCPP) and two meso-(aryl) metalloporphyrins, TCPP-Zn(II) and TCPP-Sn(IV), with reaction yields between 33.91 ...
Insights into the selective sensing mechanism of a luminescent Cd(II)-based MOF chemosensor toward NACs: roles of the host–guest interactions and PET processes (2021)
(Springer, 2021-08)
The structural and photophysical properties of the [Cd2(H2L)2(H2O)5].5H2O (where H4L is the ligand 5,5'-((thiophene-2,5-dicarbonyl)bis(azanediyl))diisophthalic acid labeled as Cd-MOF), as well as the elucidation of the ...
Conversion of levulinic acid over Ag substituted LaCoO3 perovskite (2021)
(Elsevier Ltd, 2021-10-01)
The present work shows the application of substituted and basic perovskites as catalysts in the levulinic acid conversion. In this context, the effect of the Ag substitution on La1-xAgxCoO3 (x = 0.00, 0.05, 0.10, 0.20) ...
Insights into Hydrodeoxygenation of Furfural and Guaiacol Mixture: Experimental and Theoretical Studies (2021)
(American Chemical Society, 2021)
Catalytic hydrodeoxygenations of furfural, guaiacol, and their mixture at different concentrations were carried out over a Ni/SiO2 catalyst to study the kinetic and competitive effects. Anisole was also studied to compare ...