Search results for "Catalysis"
showing 10 items of 5944 documents
Room-Temperature Autoconversion of Free-Base Corrole into Free-Base Porphyrin
2006
International audience
Photocatalytic H2 evolution from aqueous solutions of oxygenated organic compounds in the presence of C3N4/reduced graphene oxide based photocatalysts
2022
Composites of C3N4/reduced graphene oxide have been used as a cheap and promising photocatalysts for triethanolamine and ethanol photo-reforming with H2 generation in aqueous solution. The rate of H2 production over the best performing photocatalysts reached 1,415 μmol·h-1·g-1 which increases up to 57,306 in the presence of 1% of Pt. The apparent quantum efficiency of the optimal material was 7 % by using both LED and natural sunlight irradiation
Fotoutlenianie siarki w obecności wybranych diftalocyjanin lantanowców
2016
Zagadnienie odsiarczania jest problemem zarówno w przemyśle jak i w ochronie środowiska naturalnego, gdyż związki siarki stanowią zagrożenie dla organizmów żywych. Podjęto więc badania nad możliwością wykorzystania fotoaktywnych kompleksów ftalocyjaniny jako potencjalnych aktywatorów w procesie utleniania związków siarki. W pracy badano proces fotoutleniania siarki elementarnej w obecności NdPc2 oraz YbPc2 w roztworze DMF. Otrzymane wyniki wskazują, że jedynie kompleks z Yb efektywnie katalizował badaną reakcję, przy mniejszym natężeniu promieniowania UV. Okazało się, że największy wpływ na przebieg i wydajność procesu fotoutleniania ma intensywność naświetlania układu. Rodzaj użytego fotoa…
The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2
2023
Single Atom Catalysts (SACs) have shown that the miniaturization of the active site implies new phenomena like dynamic charge transfer between isolated metal atoms and the oxide. To obtain direct proof of this character is challenging, as many experimental techniques provide averaged properties or have limitations with poorly conductive materials, leaving kinetic measurements from catalytic testing as the only reliable reference. Here we present an integrated Density Functional Theory-Microkinetic model including ground and metastable states to address the reactivity of Pt1/CeO2 for CO oxidation. Our results agree with experimentally available kinetic data in the literature and show that CO…
Ligand assisted hydrogenation of levulinic acid on Pt(111) from first principles calculations
2021
In this study, we investigate the hydrogenation reaction of levulinic acid to 4-hydroxypentanoic acid on ligand-modified Pt(111) using DFT. Modifying nanoparticle surfaces with ligands can have beneficial effects on the desired reaction such as improved selectivity or lower activation energies. The N3,N3-dimethyl-N2-(quinolin-2-yl)propane-1,2-diamine (AQ) ligand was selected to modify the surface, since it combines good surface adsorption properties with functional groups that can influence the reaction. The adsorption geometry of the AQ ligand was studied as well as the co-adsorption of a second AQ ligand for the possibility of self-assembly. We found that dissociated hydrogen from the Pt(…
Facile and efficient chemical functionalization of aliphatic polyesters by cross metathesis
2016
International audience; An effective preparation of new tailor-made macromolecular materials via a combination of two (atom-efficient) catalytic transformations is reported. First, new aliphatic polyesters with alternated composition have been prepared using a salen aluminum catalyst system. Next, the pendant vinyl moieties in those copolymers have been selectively transformed into various functional groups by metathesis in the presence of homogeneous Grubbs catalysts. The latter metathesis reaction has been optimized in terms of catalytic activity and selectivity, to define the conditions for an effective and safe procedure that does not affect the macromolecular architecture. All polymer …
Polymorphic chiral squaraine crystallites in textured thin films
2020
Chirality 32(5), 619 - 631 (2020). doi:10.1002/chir.23213
Metallocenes and post-metallocenes immobilized on ionic liquid-modified silica as catalysts for polymerization of ethylene
2014
Abstract The supported ionic liquid (SIL) strategy was used for the first time to metallocene and post-metallocene heterogeneous catalysts for olefin polymerization. The metal complexes: Cp2TiCl2, Cp2ZrCl2, FI–Ti, and Sal–Ti were immobilized in the 1-(3-triethoxysilyl)propyl-3-methylimidazolium alkylchloroaluminate ionic liquid, anchored on the surface of the mesoporous amorphous silica. The SIL systems were characterized by FTIR, 29Si NMR, N2 adsorption, EA, AAS, TG, and SEM techniques. The developed supported catalytic systems were found to be active in the ethylene polymerization and produce the polyethylene of various properties.
Naturally Occurring Oxazole Structural Units as Ligands of Vanadium Catalysts for Ethylene-Norbornene (Co)polymerization
2021
1,3-Oxazole and 4,5-dihydro-1,3-oxazole are common structural motifs in naturally occurring peptides. A series of vanadium complexes were synthesized using VCl3(THF)3 and methyl substituted (4,5-dihydro-1,3-oxazol-2-yl)-1,3-oxazoles as ligands and analyzed using NMR and MS methods. The complexes were found to be active catalysts both in ethylene polymerization and ethylene-norbornene copolymerization. The position of methyl substituent in the ligand has considerable impact on the performance of (co)polymerization reaction, as well as on the microstructure, and thus physical properties of the obtained copolymers.
Titanium and Vanadium Catalysts with 2-Hydroxyphenyloxazoline and Oxazine Ligands for Ethylene-Norbornene (co)Polymerization
2019
A series of titanium and vanadium complexes with oxazoline 2-(4,5-dihydro-1,3-oxazol-2-yl)phenol (L1), 2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenol (L2), and oxazine 2-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenol (L3) ligands were synthesized, and their structures were determined by NMR and MS methods as (L)2MtCl2. The vanadium complexes were found to be highly active in ethylene (7300 kgPE/(molV·