Understanding selective reduction reactions with heterogeneous Pd and Pt : climbing out of the black box
PublisherUniversity of Jyväskylä
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Mammen, Nisha; Malola, Sami; Honkala, Karoliina; Häkkinen, Hannu (American Chemical Society (ACS), 2022)The catalytic partial hydrogenation of α,β-unsaturated aldehydes is an ideal reaction to understand the selectivity between two different functional groups Here the two functional groups are C═C and C═O, and the hydrogenation ...
Savela, Risto; Shcherban, Nataliya D.; Melander, Marko M.; Bezverkhyy, Igor; Simakova, Irina L.; Långvik, Otto; Kholkina, Ekaterina; Schindler, Tamara; Krauβ, Annabelle; Honkala, Karoliina; Murzin, Dmitry Yu.; Leino, Reko (Royal Society of Chemistry, 2021)Selective hydrogenation of unsaturated imines over heterogeneous catalysts is an ecologically feasible and effective way to produce commercially valuable saturated imines and unsaturated amines under mild conditions, ...
Gell, Lars; Honkala, Karoliina (Royal Society of Chemistry, 2022)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 ...
Oxidative Dehydrogenation of Ethanol on Gold : Combination of Kinetic Experiments and Computation Approach to Unravel the Reaction Mechanism Behravesh, Erfan; Melander, Marko M.; Wärnå, Johan; Salmi, Tapio; Honkala, Karoliina; Murzin, Dmitry Yu. (Elsevier, 2021)Selective alcohol dehydrogenation on heterogeneous catalysts is a key industrial reaction for production of aldehydes, ketones, and carboxylic compounds. Design of catalysts with improved activity and selectivity requires ...
Brosge, Felix; Kochs, Johanne,s Florian; Bregu, Mariela; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten (American Chemical Society (ACS), 2020)At elevated temperatures, N-cyanosulfoximines react with Meldrum’s acid derivatives to give sulfoximines with N-bound 5-carbonyl-1,3-oxazine-2,4-dione groups. A representative product was characterized by single-crystal ...