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(Pentamethylcyclopentadienyl)iridium-PTA (PTA = 1,3,5-Triaza-7-phosphaadamantane) Complexes and Their Application in Catalytic Water Phase Carbon Dioxide Hydrogenation

Related publications (29)

Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

NATURE PORTFOLIO2022

Adaptation and Optimization of an Intraneural Electrode to Interface with the Cervical Vagus Nerve

Silvestro Micera, Ivo Strauss

The modulation of the cervical vagus nerve (VN) using neural electrodes has shown great potential to treat cardiovascular, inflammatory, intestinal, or respiratory dysfunctions. Intraneural electrodes have shown great potentials for other neuroprosthetic a ...

IEEE2021

Molecular Volcano Plots: Tools for Rationalizing and Predicting the Performance of Homogeneous Catalysts

Boodsarin Sawatlon

The generation of catalyst design tools is important for developing both economically and environmentally friendly reactions. This thesis focuses on the use and development of such a tool, molecular volcano plots, which have the ability to estimate catalyt ...

EPFL2021

Atomic Level Insights of Non-Noble Metal Catalysts for the Oxygen Evolution Reaction

Lichen Bai

The conversion of intermittent renewable energy resources in the form of chemical bond, such as hydrogen production from electrochemical water splitting, is a promising way to satisfy the future global energy demand and address the environmental issues. Th ...

EPFL2021

Recent progress in syngas production via catalytic CO2 hydrogenation reaction

Oliver Kröcher, Alimohammad Bahmanpour

Synthesis gas production through the catalytic reverse water-gas shift (RWGS) reaction is an attractive option for the conversion of CO2 to fuels. Many metal-based catalysts have been introduced for this reaction in order to provide high activity, CO selec ...

ELSEVIER2021

Arene-ruthenium(II) complexes with pyrazole-based ligands bearing a pyridine moiety: Synthesis, structure, DFT calculations, and cytotoxicity

Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji

Two pyrazole-based ligands bearing a pyridine moiety, 3-methyl-1-(pyridin-2-yl)-5-pyrazolone (HLpy), and 3methyl-1-(pyridin-2-yl)-4-trifluoroacetyl-5-pyrazolone (HQpy,CF3), were prepared and fully characterized in the solid-state and the tautomerism of bot ...

ELSEVIER SCIENCE SA2021

Reduction of PdO/Al2O3 in Liquid Cyclohexane Followed In Situ by ATR-IR, High-Energy XRD, and XAS

Thibault Xavier Florian Fovanna, Oliver Kröcher, Davide Ferri

Supported Pd-based catalysts used in heterogeneously catalyzed liquid phase processes often undergo an activation step through reduction of the oxide phase or of the oxidic passivation layer prior to reaction. An oxidized Pd/Al2O3 catalyst was reduced by u ...

AMER CHEMICAL SOC2021

The Genesis of Molecular Volcano Plots

Anne-Clémence Corminboeuf, Matthew Wodrich, Michael Markus Busch, Boodsarin Sawatlon

For the past two decades, linear free energy scaling relationships and volcano plots have seen frequent use as computational tools that aid in understanding and predicting the catalytic behavior of heterogeneous and electrocatalysts. Based on Sabatier's pr ...

2021

Stable Palladium Oxide Clusters Encapsulated in Silicalite-1 for Complete Methane Oxidation

Oliver Kröcher, Davide Ferri, Olga Safonova, Teng Li

Zeolite-supported metal catalysts are widely employed in a number of chemical processes, and the stability of the catalytically active species is one of the most critical factors determining the reaction performance. A good example is the Pd/zeolite cataly ...

AMER CHEMICAL SOC2021