A5032759988- Synthetic Organic Chemistry Methods
- Catalysis and Hydrodesulfurization Studies
- Catalysis and Oxidation Reactions
- Catalytic Processes in Materials Science
- Organometallic Complex Synthesis and Catalysis
- Thermal and Kinetic Analysis
- Nanoparticles: synthesis and applications
- Catalytic Alkyne Reactions
- Mesoporous Materials and Catalysis
- Electrochemical Analysis and Applications
- Polyoxometalates: Synthesis and Applications
- Fuel Cells and Related Materials
- Analytical Chemistry and Sensors
- Microbial Fuel Cells and Bioremediation
Cracow University of Technology
2013-2024
A MoOx/SiO2 system is an effective catalyst for alkene metathesis; however, the mechanism of transformation surface metal oxide species into active alkylidene sites not well recognized. In this work, comprehensive density functional theory studies initiation mechanisms metathesis on have been performed. It shown that silanol groups interacting with Mo and constituting Brønsted acid can play a key role in reduction dioxo Mo(VI) to mono-oxo Mo(IV) by alkene, through alkoxy species, subsequent...
Although silica-supported molybdenum and tungsten oxide systems are widely used in catalysis, the nature of surface metal species is still not fully recognized. In this work, comprehensive periodic cluster density functional theory (DFT) studies isolated Mo(VI) W(VI) on dehydrated amorphous silica have been performed to give insight into their heterogeneity. It shown that relative stabilities strongly depend location influences geometry strain surface. The favorable located monooxo clearly...
A WOx/SiO2 system is the major industrial catalyst for olefin metathesis, but mechanism of active site formation from surface tungsten oxide species not yet fully understood. In this work, detailed density functional theory (DFT) studies initiation mechanisms metathesis over have been carried out. It shown that dioxo W(VI) can be reduced to monooxo W(IV) by alkenes or activated without reduction form alkylidene species. silanol group interacting with a W plays key role in these...
The regioselectivity of metathesis reactions trisubstituted vinylsilanes H2C═CHSiR3 (SiR3 = SiCl3, SiCl2Me, SiClMe2, SiMe3, Si(OEt)3) with the second-generation ruthenium alkylidene complex has been studied theoretically, by density functional theory (DFT), and experimentally. DFT results indicate that cycloreversion is rate-determining step formation a thermodynamically stable methylidene PhCH═CHSiR3 generally preferred. However, process can be also governed relative stabilities...
Olefin metathesis catalysed by solid systems has found a number of industrial applications. During the last decade, heterogeneous catalysts for olefin were comprehensively studied experimental and theoretical methods. A great progress been achieved in field both conventional well-defined catalytic systems. The computational approach, taking advantage growing computer power, enabled development advanced models representing surface species relevant to metathesis. In case ill-defined catalysts,...
An ecofriendly method of nanosilver obtaining has been studied. The process involves the chemical reduction carried out in aqueous environment. Silver nitrate (V) was applied as a silver ions source. Raspberry extract used natural source both reducing and stabilizing agents. total amount phenolic compounds determined by Folin‐Ciocalteu method. Obtained nanoparticles were analyzed dynamic light scattering technique so to determine particles size suspension stability which characterized an...
Abstract Review: 185 refs.