A5047903834- Radical Photochemical Reactions
- Catalytic C–H Functionalization Methods
- Sulfur-Based Synthesis Techniques
- X-ray Diffraction in Crystallography
- Machine Learning in Materials Science
- Crystallization and Solubility Studies
- Innovative Microfluidic and Catalytic Techniques Innovation
- Computational Drug Discovery Methods
- Scientific Computing and Data Management
- Fluorine in Organic Chemistry
- Chemistry and Chemical Engineering
- Oxidative Organic Chemistry Reactions
- Various Chemistry Research Topics
- Crystallography and molecular interactions
- Synthetic Organic Chemistry Methods
- Mobile Crowdsensing and Crowdsourcing
- CO2 Reduction Techniques and Catalysts
- Metabolomics and Mass Spectrometry Studies
- Molecular Spectroscopy and Structure
- Silicone and Siloxane Chemistry
- Luminescence and Fluorescent Materials
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Catalysis and Oxidation Reactions
- Advanced Photocatalysis Techniques
- Photochemistry and Electron Transfer Studies
University of Münster
2017-2024
University of Toronto
2022-2024
University of Wuppertal
2024
Centre National de la Recherche Scientifique
2020
Analytisches Laboratorium
2018-2020
Saint-Gobain (France)
2020
Massachusetts Institute of Technology
2018
Abstract A deaminative strategy for the borylation of aliphatic primary amines is described. Alkyl radicals derived from single‐electron reduction redox‐active pyridinium salts, which can be isolated or generated in situ, were borylated a visible light‐mediated reaction with bis(catecholato)diboron. No catalyst further additives required. The key electron donor–acceptor complex was characterized detail by both experimental and computational investigations. synthetic potential this mild...
The discovery and application of dearomative cascade photocatalysis as a strategy in complex molecule synthesis is described. Visible-light-absorbing photosensitizers were used to (sequentially) activate 1-naphthol derived arene precursor divergently form two different polycyclic molecular scaffolds through catalyst selective energy transfer.
Abstract An intermolecular, two‐component vicinal carboimination of alkenes has been accomplished by energy transfer catalysis. Oxime esters alkyl carboxylic acids were used as bifunctional reagents to generate both and iminyl radicals. Subsequently, addition the radical an alkene generates a transient for selective radical–radical cross‐coupling with persistent radical. Furthermore, this process provides direct access aliphatic primary amines α‐amino simple hydrolysis.
Abstract Assessing the outcomes of chemical reactions in a quantitative fashion has been cornerstone across all synthetic disciplines. Classically approached through empirical optimization, data‐driven modelling bears an enormous potential to streamline this process. However, such predictive models require significant quantities high‐quality data, availability which is limited: Main reasons for include experimental errors and, importantly, human biases regarding experiment selection and...
Contemporary materials discovery requires intricate sequences of synthesis, formulation, and characterization that often span multiple locations with specialized expertise or instrumentation. To accelerate these workflows, we present a cloud-based strategy enabled delocalized asynchronous design-make-test-analyze cycles. We showcased this approach through the exploration molecular gain for organic solid-state lasers as frontier application in optoelectronics. Distributed robotic synthesis...
Herein, we present a novel strategy for the utilization of simple carbonyl compounds, aldehydes and ketones, as intermolecular radical acceptors. The reaction is enabled by visible light photoredox initiated hole catalysis in situ Brønsted acid activation compound. This regioselective alkyl addition does not require metals, ligands or additives proceeds with high degree atom economy under mild conditions. proposed mechanism supported both experimental theoretical studies.
The development and application of traceless acceptor groups in photochemical C-C bond formation is described. This strategy was enabled by the photoexcitation electron donor-acceptor (EDA) complexes with visible light. acceptors, which were readily prepared from amino acid peptide feedstocks, could be used to alkylate a wide range heteroarene enamine donors under metal- peroxide-free conditions. crucial role EDA mechanism these reactions explored through combined experimental computational studies.
Self-driving laboratories (SDLs), which combine automated experimental hardware with computational experiment planning, have emerged as powerful tools for accelerating materials discovery. The intrinsic complexity created by their multitude of components requires an effective orchestration platform to ensure the correct operation diverse setups. Existing frameworks, however, are either tailored specific setups or not been implemented real-world synthesis. To address these issues, we...
Rapid advancements in artificial intelligence (AI) have enabled breakthroughs across many scientific disciplines. In organic chemistry, the challenge of planning complex multistep chemical syntheses should conceptually be well-suited for AI. Yet, development AI synthesis planners trained solely on reaction-example-data has stagnated and is not par with performance "hybrid" algorithms combining expert knowledge. This Perspective examines possible causes these shortcomings, extending beyond...
A visible-light-mediated approach to carbonyl-olefin cross-metathesis is described. Photoinduced hole catalysis was used promote the formation of 1,3-diols from aldehydes and styrenes, which were then readily fragmented under acidic conditions form products. The use as intermediates, rather than energetically more demanding oxetanes, provides a new, orthogonal mechanistic strategy for cross-metathesis. Furthermore, this does not require any metals, ligands, or additives, products with high...
Herein, we present a photocatalyzed two-carbon ring expansion of β-dicarbonyl compounds with unactivated olefins that provides facile access to medium-sized rings. Selective sensitization the substoichiometric enol tautomer enables reactivity substrates incompatible classical De Mayo reaction conditions. Key success is identification metal-based sensitizer fac-[Ir(CF3 -pmb)3 ], which can be excited using common near-visible LEDs, and possesses high triplet state energy 73.3 kcal mol-1 . This...
Self-driving laboratories (SDLs) promise an accelerated application of the scientific method. Through automation high-throughput experimentation, and autonomization experiment planning execution, SDLs hold potential to greatly accelerate research in chemistry materials discovery. This review article provides in-depth analysis state-of-the-art SDL technology, its applications across various disciplines, implications for research, industry. additionally overview enabling technologies SDLs,...
Abstract Herein, we report a novel strategy for the activation of DMSO to act as versatile alkylating agent in heteroarene C−H functionalization. This direct, simple, and mild switch between methylation/trideuteromethylation methylthiomethylation heteroarenes was achieved under reagent‐controlled photoredox catalysis conditions. The proposed mechanism is supported by both experimental computational studies.