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- W1993480461 abstract "Abstract The oxidation of ethylene to acetaldehyde in the presence of [PdCl 4 ] 2- has been studied using a CNDO-based method. A new reaction path is postulated involving the intermediate complex [C 2 H 4 PdCl 3 ] − . The reaction sequence is initiated by the introduction of a water molecule at each of the available coordination sites of the metal perpendicular to the plane of the ethylene palladium trichloride anion. The chloride ligand trans to the coordinated ethylene is displaced by an entering water molecule. The departing halide extracts a proton from the second water and the generated hydroxyl ligand reacts with the ethylene, while remaining in the coordination sphere of the metal. This rate-determining step yields a β-hydroxyethyl palladium species as an intermediate and this can transform by a series of hydrogen shifts into a weak complex of acetaldehyde and palladium (0). Reasons are presented for the greater catalytic efficiency of [PdCl 4 ] 2− relative to [PtCl 4 ] 2− and for the inability of nickel and titanium complexes to catalyze the reaction." @default.
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- W1993480461 date "1976-12-01" @default.
- W1993480461 modified "2023-10-16" @default.
- W1993480461 title "A molecular orbital investigation of the wacker process for the oxidation of ethylene to acetaldehyde" @default.
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- W1993480461 doi "https://doi.org/10.1016/0021-9517(76)90358-4" @default.
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