Search results for "Catalyst"

The Hexameric Resorcinarene Capsule as a Brønsted Acid Catalyst for the Synthesis of Bis(heteroaryl)methanes in a Nanoconfined Space

2019

Herein, we show that the hexameric resorcinarene capsule C is able to catalyze the formation of bis(heteroaryl)methanes by reaction between pyrroles or indoles and carbonyl compounds (α-ketoesters or aldehydes) in excellent yields and selectivity. Our results suggest that the capsule can play a double catalytic role as a H-bond catalyst, for the initial activation of the carbonyl substrate, and as a Bronsted acid catalyst, for the dehydration of the intermediate alcohol.

Constant inner potential DFT for modelling electrochemical systems under constant potential and bias

2021

Electrochemical interfaces and reactions play a decisive role in e.g. clean energy conversion but understanding their complex chemistry remains an outstanding challenge. Constant potential or grand canonical ensemble (GCE) simulations are indispensable for unraveling the properties of electrochemical processes as a function of the electrode potential. Currently, constant electrode potential calculations at the density functional theory (DFT) level are carried out by fixing the Fermi level of the simulation cell. However, the Fermi level from DFT calculations does does not always reflect the experimentally controlled electrode potential or describe the thermodynamic independent variable in G…

Use of Fe and Al containing electrocoagulation sludge as an adsorbent and a catalyst in water treatment

2023

In this study, three different electrocoagulation (EC) sludges were studied as an adsorbent (removal of humic acids) and as a catalyst [catalytic wet peroxide oxidation (CWPO) of bisphenol A (BPA)]. The sludges originated from electrocoagulation process in which aluminum (Al) and iron (Fe) electrodes were used for the treatment of mining industry wastewater. All the materials were used as dried sludge and calcined material. The stability of these materials was studied in neutral and alkaline conditions with analysis of the leached iron content in solution. Based on the EC sludge characterization with X-ray fluorescence (XRF), X-ray diffractometer (XRD), and diffuse-reflectance infrared Four…

Thiazolium salts as catalysts for etherification reaction

2014

Organocatalytic Enantioselective Vinylogous Henry Reaction of 3,5-Dimethyl-4-nitroisoxazole with Trifluoromethyl Ketones

2017

The enantioselective vinylogous Henry reaction of 3,5-dimethyl-4-nitroisoxazole with trifluoromethyl ketones employing a bifunctional squaramide organocatalyst has been developed. A series of isoxazole bearing trifluoromethyl-substituted tertiary alcohols, 2-substituted (R)-1,1,1-trifluoro-3-(3-methyl-4-nitroisoxazol-5-yl)propan-2-ols, were obtained under these mild reaction conditions in good yields and moderate to good enantioselectivities

Développement et caractérisation d’électrodes pour l’électrolyse alcaline de l’eau

2020

Splitting water into hydrogen and oxygen by electrolysis using electricity from intermittent ocean current, wind, or solar energies is one of the easiest and cleanest routes for high-purity hydrogen production and an effective way to store the excess electrical power without leaving any carbon footprints. The key dilemma for efficient large-scale production of hydrogen by splitting of water via the hydrogen and oxygen evolution reactions is the high overpotential required, especially for the oxygen evolution reaction. Hence, engineering highly active and stable earth-abundant oxygen evolution electrocatalysts with three-dimensional hierarchical porous architecture via facile, effective and …