Publication

Sequential N–O and N–N Bond Cleavage of N-Heterocyclic Carbene-Activated Nitrous Oxide with a Vanadium Complex

Related publications (32)

Identifying Reaction Species by Evolutionary Fitting and Kinetic Analysis: An Example of CO2 Hydrogenation in DRIFTS

Andreas Züttel, Kun Zhao, Ligang Wang, Marco Calizzi, Emanuele Moioli

Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) investigations of molecules at the surface of catalysts exhibit a strong overlap of the adsorption peaks. Therefore, the investigation of the CO2 hydrogenation on a highly active catalyst ...

2019

Synthesis and Application of Transition Metal Oxides as Oxygen Evolution Catalysts

Laurent Liardet

Nowadays, mankind is facing an important energy challenge. Depletion in fossil fuels reserves and increasing energy demand, coupled with the problematic greenhouse effect induced by massive anthropogenic release of carbon dioxide into the atmosphere, are d ...

EPFL2019

Particle-Based Simulation Reveals Macromolecular Crowding Effects on the Michaelis-Menten Mechanism

Vassily Hatzimanikatis, Daniel Robert Weilandt

Many computational models for analyzing and predicting cell physiology rely on in vitro data collected in dilute and controlled buffer solutions. However, this can mislead models because up to 40% of the intracellular volume-depending on the organism, the ...

2019

Bond-selective and surface-site-specific dissociation of methane on platinum

Ana Gutiérrez González

I present a molecular beam study of methane dissociation on differ-ent surface sites of several platinum single crystal surfaces (Pt(111), Pt(211), Pt(210), Pt(110)-(2x1)). The experiments were performed in a molecular beam/surface-science apparatus that c ...

EPFL2019

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Jeremy Samuel Arey, Peter Rudolf Tentscher, Daniela Trogolo

Reactions with ozone transform organic and inorganic molecules in water treatment systems as well as in atmospheric chemistry, either in the aqueous phase, at gas/particle interfaces, or in the gas phase. Computed thermokinetic data can be used to estimate ...

AMER CHEMICAL SOC2019

Model-assisted identification of solid oxide cell elementary processes by electrochemical impedance spectroscopy measurements

Stefan Diethelm, Jan Van Herle, Arata Nakajo, Priscilla Caliandro

Electrochemical Impedance Spectroscopy (EIS) is extensively used to characterize Solid Oxide Cells (SOCs) to extract information on the elementary loss mechanisms. However, these individual mechanisms usually overlap in the frequency domain, requiring dedi ...

2019

Getting the Right Grip? How Understanding Electrophile Selectivity Profiles Could Illuminate Our Understanding of Redox Signaling

Yimon Aye, Lingxi Wang

Recent Advances: Herein, we focus on the first step of this process, electrophile sensing. Electrophile sensing is typically a deceptively simple reaction between the thiol of a protein cysteine, of which there are around 200,000 in the human proteome, and ...

MARY ANN LIEBERT, INC2020

Investigation of the heterogeneously catalysed gas phase CO2 hydrogenation reaction: Development of analysis methods and reaction analysis on pristine metal catalysts

Robin Tobias Andreas Mutschler

The aim of this thesis is to contribute to the development of analysis methods that enable an improved investigation of the CO2 hydrogenation reaction such as quantitative mass spectrometry and infrared thermography. Furthermore, the contribution is in the ...

EPFL2019

Alkynylation of radicals: spotlight on the "Third Way" to transfer triple bonds

Jérôme Waser, Franck Le Vaillant

The alkynylation of radical intermediates has been known since a long time, but had not been broadly applied in synthetic chemistry, in contrast to the alkynylation of either electrophiles or nucleophiles. In the last decade however, it has been intensivel ...

2019

Photoredox-Catalyzed Decarboxylation for the Transfer of Alkynes and Nitriles Using Hypervalent Iodine Reagents

Franck Le Vaillant

Aliphatic alkynes and nitriles are privileged motifs in organic chemistry. Therefore, alkynes and nitriles have played a central role for the exploration and development of novel strategies to forge C-C bonds in efficient manner. They are broadly used as v ...

EPFL2019

Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms

Peter Rudolf Tentscher, Urs von Gunten, Minju Lee

The abatement of organic micropollutants during oxidation processes has become an emerging issue for various urban water systems such as drinking water, wastewater, and water reuse. Reaction kinetics and mechanisms play an important role in terms of effici ...

AMER CHEMICAL SOC2019

A catalytically active [Mn]-hydrogenase incorporating a non-native metal cofactor

Matthew Wodrich, Xile Hu, Farzaneh Fadaei Tirani, Huijie Pan

Nature carefully selects specific metal ions for incorporation into the enzymes that catalyse the chemical reactions necessary for life. Hydrogenases, enzymes that activate molecular H-2, exclusively utilize Ni and Fe in [NiFe]-, [FeFe]- and [Fe]-hydrogean ...

2019