Density functional theory (DFT) calculations have been performed to investigate the oxidation of alcohol to acetaldehyde, catalyzed by the (bpy)CuI-TEMPO/NMI catalytic system. Three pathways (path A, path B and path C) are presented. Our calculations indicate that path B is the favourable pathw...
Inside Cover: Solvation‐Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase (Angew. Chem. Int. Ed. 13/2018)ab initio simulationsgold nanoparticlesGrotthuss-type proton diffusion...
The oxygen atom of the alcohol group is rich in electrons and attracts the hydrogen ion from the acid. The attraction for the hydrogen ion activates the oxidation reaction that ends in forming an aldehyde or ketone. How do you oxidize an alcohol to a ketone? The secondary alcohol is treated...
The differences in free energy of activation for the rate-determining hydrogen transfer within the pre-oxidation complexes were small; the differences in complex formation constants lead to a larger rate of reaction for the primary alcohol, as is observed experimentally. In acidic solution, rate-...
The kinetics of the oxidation of seven primary alcohols by N-bromoacetamide has been studied in alkaline solution. The main product of the oxidation is the corresponding aldehyde. The reaction is first order with respect to the oxidant and alcohol. The oxidation of [1,1-2H2]ethanol indicates ...
Data indicated that the first step in the oxidation is the formation of the alcoholate species via acid-base equlibrium with B. The alcoholate subsequently reacts with the active form of TEMPO (T (+), i.e., the one-electron oxidized form) forming an intermediate that further reacts with...
Oxidation of Alcohols - The oxidation of alcohols is an important reaction in organic chemistry. The oxidation of alcohols to the corresponding carbonyl compounds, say aldehyde or ketone, plays a central role in organic synthesis. Learn about the Lucas t
For example, an amount of nickel peroxide corresponding to one atomic equivalent of available oxygen converts 1 mol of alcohol into a carbonyl compound. The results indicated in Table I clarify the stoichiometry on the oxidation with nickel peroxide. It is reasonable to explain that the formation...
A significant change in rate on addition of allyl alcohol to the system indicates the presence of free radicals to an extent greater than can be ascribed to the k 1 term alone. The possible intervention of NO 2 as an intermediate has been investigated. Mechanisms for the two oxidation paths...
The oxidation of methyl alcohol has been investigated in the liquid phase and the gas phase. In the latter case copper and aluminium were used as catalysts. Also the decomposition of methyl alcohol was investigated, oxygen being absent. These experiments were repeated using no catalyst. Some ...