A5089771420- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Cyclopropane Reaction Mechanisms
- Crystallography and molecular interactions
- Catalytic C–H Functionalization Methods
- Catalytic Alkyne Reactions
- Crystal structures of chemical compounds
- Asymmetric Hydrogenation and Catalysis
- Inorganic Fluorides and Related Compounds
- Carbohydrate Chemistry and Synthesis
- Synthesis and Catalytic Reactions
- Machine Learning in Materials Science
- Chemical Synthesis and Analysis
- Sulfur-Based Synthesis Techniques
- Catalytic Cross-Coupling Reactions
- Organic and Molecular Conductors Research
RWTH Aachen University
2022-2023
St Petersburg University
2018-2019
Owing to the unknown correlation of a metal’s ligand and its resulting preferred speciation in terms oxidation state, geometry, nuclearity, rational design multinuclear catalysts remains challenging. With goal accelerate identification suitable ligands that form trialkylphosphine-derived dihalogen-bridged Ni(I) dimers, we herein employed an assumption-based machine learning approach. The workflow offers guidance space for desired without (or only minimal) prior experimental data points. We...
Complexes trans-[MCl2(NCNMe2)2] (M = Pt 1, Pd 2) were cocrystallized with CHBr3 and CHI3, forming 1:2 adducts isomorphic previously reported trans-[PtCl2(NCNMe2)2]·2CHI3. In all cases, the C–X···M (X Br, I; M Pd, Pt) metal-involving halogen bonding together numerous chloride-halomethane hydrogen bonds identified by single-crystal XRD experiments. Further DFT calculations topological analysis of electron density distribution within framework QTAIM method at M06/DZP-DKH level theory confirmed...
The complexes trans-[PtCl2(NCNR2)2] (R2 = Me2 1, Et2 2, (CH2)4 3) were cocrystallized with CBr4 in CHCl3 (1 and or MeNO2 (2) forming adducts 1·CHCl3·CBr4, 2·2CBr4, 3·2CBr4, respectively. In two out of three adducts, viz. 1·CHCl3·CBr4 unique Br3C–Br···η2(Cl–Pt) metal-involving bifurcated halogen bonding was detected, by single-crystal XRD, along other halomethane–chloride interactions. Appropriate density functional theory calculations performed complementary methodologies, (i) single-point...
While vinyl cyclopropanes are valuable functional groups in drugs or natural products as well established precursors to trigger a rich variety of synthetic transformations, their reactive nature can make installation via direct catalytic approaches challenging. We herein present modular access (di)vinyl under very mild conditions and full conservation stereochemistry, allowing the cis trans cyclopropane- E Z vinyl-stereochemical relationships. Our protocol relies on air-stable dinuclear Pd
Novel three-component “two saccharins-one dialkylcyanamide” integration.
Abstract While vinyl cyclopropanes are valuable functional groups in drugs or natural products as well established precursors to trigger a rich variety of synthetic transformations, their reactive nature can make installation via direct catalytic approaches challenging. We herein present modular access (di)vinyl under very mild conditions and full conservation stereochemistry, allowing the cis trans cyclopropane‐ E Z vinyl‐stereochemical relationships. Our protocol relies on air‐stable...