A5033118567- Synthetic Organic Chemistry Methods
- Organometallic Complex Synthesis and Catalysis
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Chemical Synthesis and Analysis
- Asymmetric Hydrogenation and Catalysis
- Catalysis and Hydrodesulfurization Studies
- Catalytic Cross-Coupling Reactions
- Fuel Cells and Related Materials
- Atomic and Subatomic Physics Research
- NMR spectroscopy and applications
- Mesoporous Materials and Catalysis
- Crystallography and molecular interactions
- Carbon dioxide utilization in catalysis
- Electrocatalysts for Energy Conversion
- Cyclopropane Reaction Mechanisms
- Inorganic and Organometallic Chemistry
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Catalytic Processes in Materials Science
- Advanced NMR Techniques and Applications
- biodegradable polymer synthesis and properties
- Organophosphorus compounds synthesis
- Hydrogen Storage and Materials
- Catalytic Alkyne Reactions
- Microbial Natural Products and Biosynthesis
King Abdullah University of Science and Technology
2014-2022
Graz University of Technology
2011-2018
University of Warsaw
2015
University of Chemistry and Technology, Prague
2015
University of Graz
2014
The initiation mechanism of ruthenium methylidene complexes was studied detailing mechanistic insights all involved reaction steps within a classical olefin metathesis pathway. Computational studies reached good agreement with the rarely available experimental data and even enabled to complement them. As result, highly accurate computational rather cheap recipe is presented; M06/TZVP//BP86/SVP (PCM, P = 1354 atm).
Reactive surface species immobilized inside porous materials with suitably small windows can be studied by DNP SENS.
The cationic pyridine adduct of a ruthenium complex bearing chelating benzylidene and an N-heterocyclic carbene was identified as intermediate during the activation cis dichloro species novel triggering concept for olefin metathesis catalysts based on disclosed.
Density functional theory calculations have been used to explore the potential of Fe-based complexes with an N-heterocyclic carbene ligand, as olefin metathesis catalysts. Apart from a less endothermic reaction energy profile, small reduction in predicted upper barriers (≈ 2 kcal mol(-1)) is calculated Fe catalyzed profile respect Ru catalysed profile. Overall, this study indicates that catalysts be very effective
The demand for harmless and efficient energy sources is remarkably expanding, particularly after the increased awareness of global warming, greenhouse gas emissions, immense fossil fuel consumption, so forth. Formic acid considered a potential candidate as an carrier reversible hydrogen storage owing to its decomposition (H2) carbon dioxide (CO2) in presence suitable catalysts. However, selective formic using classical heterogeneous catalysis still challenging because most catalysts which...
Abstract Cyclic Ru‐phenolates were synthesized, and these compounds used as olefin metathesis catalysts. Investigation of their catalytic activity pointed out that, after activation with chemical agents, catalysts promote ring‐closing (RCM), enyne cross‐metathesis (CM) reactions, including butenolysis, good results. Importantly, latent are soluble in neat dicyclopentadiene (DCPD) show applicability ring‐opening polymeriyation (ROMP) this monomer.
A series of electronically modified second-generation cis-dichloro ruthenium ester chelating benzylidene complexes was prepared, characterized, and benchmarked in a typical ring-opening metathesis polymerization (ROMP) experiment. The electronic tuning the parent ligand (2-ethyl benzylidene) achieved by substitution at 4- 5-positions with electron-withdrawing nitro or electron-donating methoxy groups. effect on cis–trans isomerization process studied experimentally theoretically. Density...
The current article discusses the lability of chloride ligands in cis-dichloro ruthenium benzylidene complexes featuring NHC ligand N,N′-bis[2,4,6-(trimethyl)phenyl]imidazolin-2-ylidene] (SIMes) and an ester-chelating ligand. A simple halide exchange reaction with iodide salts was used to assess halide's this type complex. starting compound bearing stereochemistry (cis-1) underwent rapid selective trans SIMes (cis-2). substitution cis for found be much slower, corresponding cis-diiodo could...
Identification of surfaces at the molecular level has benefited from progress in dynamic nuclear polarization surface enhanced NMR spectroscopy (DNP SENS).
A series of ruthenium complexes based on the κ2(C,N)-(2-(benzo[h]quinolin-10-yl)methylidene dichloride fragment featuring different neutral coligands L (L = 1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene (SIPr), 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene (SIMes), 1,3-bis(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene (SIXyl), and 1,3-bis(2-methylphenyl)-4,5-dihydroimidazol-2-ylidene (SITol)) was prepared, characterized, tested in thermally induced...
The intramolecular allenylidene RuCl2(PR3)2(C═C═CPh2) to indenylidene RuCl2(PR3)2(Ind) rearrangement that occurs during the synthesis of Ru-based precatalysts for olefin metathesis is presented. In absence acid, ring closure via C–H activation was shown be unfavored energy barriers up 70 kcal/mol. Thus, it turned out HCl (or other acid) plays a crucial role formation indenylidene, as upper barrier decreases reasonable 35 Moreover, we proved computationally depending on nature phosphine...
2<sup>nd</sup>generation Hoveyda–Grubbs catalyst immobilized onto well-ordered 2D hexagonal (SBA15) and 3D fibrous (KCC-1) mesostructured silica displaying tetra-coordinated Al–H<italic>via</italic>Surface Organometallic Chemistry (SOMC).
The mechanism of cyclooctane metathesis using confinement effect strategies in mesoporous silica nanoparticles (MSNs) is discussed by catalytic experiments and density functional theory (DFT) calculations. WMe6 was immobilized inside the pores a series MSNs having same structure but different pore diameters (60, 30, 25 Å). Experiments suggest that effects observed smaller (30 Å) improve selectivity toward dimeric cyclohexadecane. In contrast, larger (60 Å), broad product distribution...
The design of novel heterogeneous catalysts with multiple adjacent functionalities is high interest to catalysis.
A set of olefin metathesis catalysts bearing a ruthenium amide moiety was synthesised. In the form these complexes exhibit very low activity in standard reactions. However, dramatic increase observed upon situ activation with trimethylsilyl chloride or HCl, allowing successful application such number model ring‐closing metathesis, cross‐metathesis and enyne transformations. Moreover, activated proved to be effective for bulk polymerisation dicyclopentadiene (DCPD). The influence factors as...
Two ruthenium olefin metathesis initiators featuring electronically modified quinoline-based chelating carbene ligands are introduced. Their reactivity in RCM and ROMP reactions was tested the results were compared to those obtained with parent unsubstituted compound. The studied complexes very stable at high temperatures up 140 °C. placement of an electron-withdrawing functionality translates into enhanced activity RCM. While precatalysts, which exist predominantly trans -dichloro...