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要旨

According to a recently proposed mechanism, the silver-catalyzed industrial synthesis of ethylene oxide (EO) involves adsorbed SO₄. The O atoms that are added to the ethylene molecules to give EO originate from SO₄, which may solve the long-standing question about the active oxygen species in this reaction. Here, we report a low-energy electron diffraction structure analysis of an ordered phase of SO₄ on the Ag(111) surface, forming a (7 × √3)rect structure and containing the oxygen species that before had been spectroscopically
identified on the active catalyst. Using I(V) data from a low-energy electron microscope and an input model from density functional theory, the complex structure could be solved. It contains SO₄ moieties on a reconstructed Ag(111) surface in which all four O atoms bind to Ag atoms. In the proposed ethylene epoxide reaction model, the structure represents the parent phase from which the active SO₄ phase is formed by a lifting of the reconstruction.