Promoting or preventing haloaryllithium isomerizations: differential basicities and solvent effects as the crucial variables

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CONSPECTUS: Ligand development plays an essential role in the advance of homogeneous catalysis. Tridentate, meridionally coordinating ligands, commonly termed pincer ligands, have been established as a privileged class of ligands in catalysis because they ...

Alkyl amines are an important class of organic compounds in medicinal and materials chemistry. Until now very have been very few methods for the synthesis of alkyl amines by metal‐catalyzed cross‐coupling of alkyl electrophiles with nitrogen nucleophiles. ...

The structure of a biological system defines its function. Therefore, nature has developed sophisticated systems that catalyze chemical reactions that are vital for life on earth. For instance, the photosynthesis is a biological process that is partially r ...

In this work, a theoretical framework is developed to explain and predict changes in the product distribution of the propene dimerization reaction, which yields a mixture of C-6 olefin isomers, resulting from the use of different porous materials as cataly ...

Transition-metal-catalyzed hydrosilylation of olefins is one of the most important methods for the preparation of organosilicon compounds, which have broad applications in both synthetic and material chemistry. For decades, precious metals, principally pla ...

Computational studies of organic systems are frequently limited to static pictures that closely align with textbook style presentations of reaction mechanisms and isomerization processes. Of course, in reality chemical systems are dynamic entities where a ...

The promoting effect of Zn on Pt-based catalyst was studied for the liquid-phase hydrogenation of 3-nitrostyrene (3-NS). The monodispersed Pt nanoparticles (ca. 2.3 nm) supported on ZnO catalyzed the target 3-vinylaniline (3-VA) formation (S3-VA = 97% at X ...

Iron(III) bisoxazolinylphenylamido (bopa) pincer complexes are efficient precatalysts for the cross-coupling of nonactivated primary and secondary alkyl halides with phenyl Grignard reagents. The reactions proceed at room temperature in moderate to excelle ...

The chemical transformation of CO2 and bicarbonates into useful products becomes increasingly impor- tant as the atmospheric CO2 level has reached 400 ppm. Here a small library of sulfonated aryl mono- phosphines and aryl diphosphines was tested as stabili ...

The presence of elemental hydrogen is known to accelerate fatigue crack growth in aluminum alloys. However, a direct link between experimental data and the governing atomistic mechanisms has remained elusive. Here we present a series of computational studi ...

Promoting or preventing haloaryllithium isomerizations: differential basicities and solvent effects as the crucial variables

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Nickamine and Analogous Nickel Pincer Catalysts for Cross-Coupling of Alkyl Halides and Hydrosilylation of Alkenes

Cross-Coupling of Alkyl Redox-Active Esters with Benzophenone Imines: Tandem Photoredox and Copper Catalysis

Design of Surface-Supported Bio-inspired Networks for CO2 and O2 Activation at Room Temperature

Predicting Product Distribution of Propene Dimerization in Nanoporous Materials

Nickel-catalyzed Hydrosilylation of Alkenes and Transition-Metal-Free Intermolecular α-C-H Amination of Ethers

Beyond Static Structures: Putting Forth REMD as a Tool to Solve Problems in Computational Organic Chemistry

Increasing Pt selectivity to vinylaniline by alloying with Zn via reactive metal-support interaction

Cross-Coupling of Nonactivated Primary and Secondary Alkyl Halides with Aryl Grignard Reagents Catalyzed by Chiral Iron Pincer Complexes

Homogenous catalytic hydrogenation of bicarbonate with water soluble aryl phosphine ligands

Illuminating the chemo-mechanics of hydrogen enhanced fatigue crack growth in aluminum alloys