Concept

Acid–base reaction

Related publications (200)

Integrated One-Pot Synthesis of 1,3-Oxazinan-2-ones from Isocyanoacetates and Phenyl Vinyl Selenones

Qian Wang, Jieping Zhu, Thomas Bertrand Pascal Marie Buyck

Brønsted base (Et3N or DBU) catalyzed Michael addition of α-substituted α-isocyanoacetates to phenyl vinyl selenones followed by a Brønsted acid (PTSA) catalyzed domino oxidative cyclization afforded 1,3-oxazinan-2-ones in good to excellent yields. Enantio ...

Schweizerische Chemische Gesellschaft2015

Regiodivergent Cyclobutanone Cleavage: Switching Selectivity with Different Lewis Acids

Nicolai Cramer, Laetitia Marie Mélanie Souillart

The exploitation of strain release in small rings as driving force to enable complex transformations is a powerful synthetic tool. Among them, cyclobutanones are particularly versatile substrates that can be elaborated in a wide variety of structurally div ...

Wiley-Blackwell2015

Optical properties of anthocyanins in the gas phase

The gas-phase optical properties of the six most common anthocyanins are studied using time-dependent density-functional theory. Different anthocyanins are classified into three groups, according to the number of low-frequency peaks displayed in the UV-vis ...

Elsevier Science Bv2015

Chiral Calcium–BINOL Phosphate Catalyzed Diastereo- and Enantioselective Synthesis of syn-1,2-Disubstituted 1,2-Diamines: Scope and Mechanistic Studies

Jieping Zhu

A highly enantioselective, chiral, Lewis acid calcium–bis(phosphate) complex, Ca[3a]n, which catalyzes the electrophilic amination of enamides with azodicarboxylate derivatives 2 to provide versatile chiral 1,2-hydrazinoimines 4 is disclosed. The reaction ...

Wiley-Blackwell2015

Toward the correspondence between Q-clouds and sphalerons

Andrey Shkerin

Non-linear classical equations of motion may admit degenerate solutions at fixed charges. Whereas the solutions with lower energies are classically stable, those with larger energies are unstable and are referred to as Q-clouds. We consider a theory in whi ...

Elsevier2015

Surface charging behavior of nanoparticles by considering site distribution and density, dielectric constant and pH changes – a Monte Carlo approach

Marianne Seijo, Serge Stoll, Fabrice Carnal

Monte Carlo simulations are used to describe the charging behavior of metal oxide nanoparticles thus enabling a novel and original approach to predict nanoparticle reactivity and the possible interactions with biological and environmental molecules. The ch ...

2015

Flame-Made WO3/CeOx-TiO2 Catalysts for Selective Catalytic Reduction of NOx by NH3

Davide Ferri

Materials based on a combination of cerium-tungsten-titanium are potentially durable catalysts for selective catalytic NOx reduction using NH3 (NH3-SCR). Flame-spray synthesis is used here to produce WO3/CeOx-TiO2 nanoparticles, which are characterized wit ...

American Chemical Society2015

Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations

David Lyndon Emsley, Aaron James Rossini

Despite the widespread use of amorphous aluminosilicates (ASA) in various industrial catalysts, the nature of the interface between silica and alumina and the atomic structure of the catalytically active sites are still subject to debate. Here, by the use ...

American Chemical Society2015

Photoelectrochemical Hydrogen Production in Alkaline Solutions Using Cu2O Coated with Earth-Abundant Hydrogen Evolution Catalysts

Michael Graetzel, Xile Hu, Matthew Thomas Mayer, Stanley David Tilley, Laurent Liardet, Carlos Gilberto Morales Guio

The splitting of water into hydrogen and oxygen molecules using sunlight is an attractive method for solar energy storage. Until now, photoelectrochemical hydrogen evolution is mostly studied in acidic solutions, in which the hydrogen evolution is more fac ...

Wiley-Blackwell2015

Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: Gas phase, linear solvent response, and non-linear response contributions

Jeremy Samuel Arey, Peter Rudolf Tentscher, Marianne Seijo, Jennifer Guerard

First principles simulations were used to predict aqueous one-electron oxidation potentials (E-ox) and associated half-cell reorganization energies (lambda(aq)) for aniline, phenol, methoxybenzene, imidazole, and dimethylsulfide. We employed quantum mechan ...

Royal Soc Chemistry2015

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