{In this|Within this} study, we investigate the hydrogenation reaction of levulinic acid to 4-hydroxypentanovic acidon a ligand-modified Pt(111) {using|utilizing|making use of|employing|working with|applying} DFT. Modifying nanoparticle surfaces with ligands can havebeneficial effects {on the|around the} {desired|preferred} reaction {such as|like|including|for example|for instance|which include} {improved|enhanced} selectivity or {lower|reduce|reduced|decrease} activation energies.The N3,N3-dimethyl-N2-(quinolin-2-yl)propane-1,2-diamine (AQ) ligand was {selected|chosen} to modify thesurface, {since|because|given that|considering that|due to the fact|considering the fact that} it combines {good|great|excellent|very good|fantastic|superior} surface adsorption properties with functional groups {that can|that may|that will|that could|which will|which can} influencethe reaction. The adsorption geometry {of the|from the|in the|on the|with the|of your} AQ ligand was studied {as well as|in addition to|along with|and also|together with|and} the co-adsorptionof a second AQ for the possibility of self-assembly. We {find that|discover that} dissociated hydrogen from thePt(111) surface can protonate the AQ ligand and {discuss|talk about|go over} the {role|function|part} this plays {on the|around the} mechanism ofthe hydrogenation reaction of levulinic acid (LA). By comparing the ligand-modified Pt(111) surfaceto the bare Pt(111) surface we show that the reaction {changes|modifications|adjustments|alterations} from a step-wise to a concertedmechanism {due to|because of|as a result of|on account of|resulting from|as a consequence of} the influence {of the|from the|in the|on the|with the|of your} ligand molecule. This demonstrates the {effect|impact} ligand-modifiedsurfaces can have in catalyzing reactions and shows that {desired|preferred} reactions {can be|may be|could be|might be|is often|is usually} {achieved|accomplished} by tuningthe reaction {environment|atmosphere}. Price of 2621939-48-6 Buy2-(2,2-Difluorocyclopropyl)acetic acid PMID:24633055
Headquartered in New Jersey, USA, ChemScence is a global leading manufacturer and supplier of building blocks and fine research chemicals. We now have branches in Sweden and India. Our mission is to pave the way for drug discovery by providing the most innovative chemicals with the highest-level quality for a reasonable price.
Our Catalog Products
We deliver an extensive portfolio of products, including Building Blocks,Catalysts&Ligands,Synthetic Reagents,Material Science and ADC Linkers&Protac,.ChemScene now have over 600000 Building Blocks & Intermediates in our catalog and more than 70000 of them are in stock.
For details, please refer to the ChemScene website:https://www.chemscene.com