Search results for "Product distribution"
showing 3 items of 13 documents
Photocatalysis within Hyperbranched Polyethers with a Benzophenone Core
2008
Quenching and product studies have been performed to demonstrate the suitability of hyperbranched polyethers with a tetrafunctionalized benzophenone core as photocatalysts. The triplet photosensitized transformation of an unsaturated diazo compound has been used as the model reaction. The polymer with highest molecular weight led to a similar product distribution even after several catalytic cycles, which evidences its excellent photostability under prolonged irradiation time. We attribute this to the stabilizing effect of the hyperbranched polymer shell.
Regioselective Synthesis of 2-Imino-1,3-thiazolidin-4-ones by Treatment ofN-(Anthracen-9-yl)-N′-ethylthiourea with Bromoacetic Acid Derivatives
2002
The reaction between N-(anthracen-9-yl)-N′-ethylthiourea (1) and methyl bromoacetate yielded mainly 2-[(anthracen-9-yl)imino]-3-ethyl-1,3-thiazolidin-4-one (2), together with some of the regioisomeric 3-(anthracen-9-yl)-2-ethylimino-1,3-thiazolidin-4-one (3). The structures of the products were elucidated by NMR techniques and, for 3, X-ray crystallographic analysis. Treatment of 1 with bromoacetyl bromide again yielded 2 and 3, but with a reversed product distribution ratio, thus providing an interesting and unexpected regioselectivity, depending on the electrophile selected. The underlying cause of the observed regioselectivity is a result of different reaction pathways taken by the two e…
Atomistic Insights into Nitrogen-Cycle Electrochemistry: A Combined DFT and Kinetic Monte Carlo Analysis of NO Electrochemical Reduction on Pt(100)
2017
Electrocatalytic denitrification is a promising technology for the removal of NOx species in groundwater. However, a lack of understanding of the molecular pathways that control the overpotential and product distribution have limited the development of practical electrocatalysts, and additional atomic-level insights are needed to advance this field. Adsorbed NO has been identified as a key intermediate in the NOx electroreduction network, and the elementary steps by which it decomposes to NH4+, N2, NH3OH+, or N2O remain a subject of debate. Herein, we report a combined density functional theory (DFT) and kinetic Monte Carlo (kMC) study of this reaction on Pt(100), a catalytic surface that i…