Authored

15 records found

Fuelling the hydrogen economy

Scale-up of an integrated formic acid-to-power system

Transitioning from fossil fuels to sustainable and green energy sources in mobile applications is a difficult challenge and demands sustained and highly multidisciplinary efforts in R&D. Liquid organic hydrogen carriers (LOHC) offer several advantages over more conventional energ ...

Manganese-Mediated C-C Bond Formation

Alkoxycarbonylation of Organoboranes

Alkoxycarbonylations are important and versatile reactions that result in the formation of a new C-C bond. Herein, we report on a new and halide-free alkoxycarbonylation reaction that does not require the application of an external carbon monoxide atmosphere. Instead, manganese c ...
Catalytic hydrogenation and dehydrogenation reactions form the core of the modern chemical industry. This vast class of reactions is found in any part of chemical synthesis starting from the milligram-scale exploratory organic chemistry to the multi-ton base chemicals production. ...

Catalysis, chemistry, and automation

Addressing complexity to explore practical limits of homogeneous Mn catalysis

Catalysis is a critical enabling technology that directly contributes to higher standards of living. This is a remarkable feat for a technology that most consumers have no direct contact with and perhaps only vaguely know from their car’s catalytic converter. Even many technical ...
The catalytic reduction of carboxylic acid derivatives has witnessed a rapid development in recent years. These reactions, involving molecular hydrogen as the reducing agent, can be promoted by heterogeneous and homogeneous catalysts. The milestone achievements and recent results ...
Automation and microfluidic tools potentially enable efficient, fast, and focused reaction development of complex chemistries, while minimizing resource- and material consumption. The introduction of automation-assisted workflows will contribute to the more sustainable developmen ...
The reaction mechanism of ester hydrogenation catalyzed by a bidentate aminophosphine ligated manganese catalyst was studied by DFT calculations. Particular emphasize was placed on the role of the alkoxide base additives. The presence of such basic promoters as KOtBu can improve ...
This invention describes an apparatus that enables the automated removal of small samples from fluids such as those encountered in (bio-)chemical reactors. These samples can then be used for, e.g., kinetic analysis and quality control applications. The system was explicitly desig ...
Catalytic reductions of carbonyl-containing compounds are highly important for the safe, sustainable, and economical production of alcohols. Herein, we report on the efficient transfer hydrogenation of ketones catalyzed by a highly potent Mn(I)−NHC complex. Mn−NHC 1 is practical ...
The use of hydrogen as a fuel requires both safe and robust technologies for its storage and transportation. Formic acid (FA) produced by the catalytic hydrogenation of CO2 is recognized as a potential intermediate H 2 carrier. Herein, we present the development of a formate-base ...
The catalytic asymmetric transfer hydrogenation (ATH) of ketones is a powerful methodology for the practical and efficient installation of chiral centers. Herein, we describe the synthesis, characterization, and catalytic application of a series of manganese complexes bearing sim ...
Bis-N-heterocyclic carbene (NHC) aminopincer ligands were successfully applied for the first time in the catalytic hydrogenation of esters. We have isolated and characterized a well-defined catalyst precursor as a dimeric [Ru2(L)2Cl3]PF6 complex and studied its reactivity and cat ...
Bis-N-heterocyclic carbene (NHC) aminopincer ligands were successfully applied for the first time in the catalytic hydrogenation of esters. We have isolated and characterized a well-defined catalyst precursor as a dimeric [Ru2(L)2Cl3]PF6 complex and studied its reactivity and cat ...
The original Fig. 6 presented incorrect thermodynamic data for the conversion 4c + KOtBu → 2 + KOMe. A revised Fig. 6 is now provided. These changes do not affect the article text and its conclusions.@en
The original Fig. 6 presented incorrect thermodynamic data for the conversion 4c + KOtBu → 2 + KOMe. A revised Fig. 6 is now provided. These changes do not affect the article text and its conclusions.@en

Contributed

1 records found

Development of a Catalysis Analytics Platform

Enabling Machine Learning in Catalyst Discovery

Recently machine learning (ML) has become increasingly popular, and has been shown to be a powerful predictive technique. The applications of ML cover a wide range of disciplines, including the natural sciences. Presently, the field of catalysis is still relatively unexposed to M ...