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Low‐Basicity Oxygen Atoms: A Key in the Search for Propylene Epoxidation Catalysts
Author(s) -
Torres Daniel,
Lopez Nuria,
Illas Francesc,
Lambert Richard M.
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200603803
Subject(s) - catalysis , allylic rearrangement , chemistry , oxygen , copper , molecule , photochemistry , oxygen atom , hydrogen , metal , inorganic chemistry , metallacycle , organic chemistry , x ray crystallography , physics , diffraction , optics
Gotta have copper : DFT studies indicate that the performance of heterogeneous epoxidation catalysts depends on the first step in the reaction between oxygen atoms and propylene molecules coadsorbed on the metal surface (see picture; C yellow, H light blue, O red). The high basicity of oxygen atoms on silver favors allylic hydrogen stripping, whereas the low basicity of oxygen atoms on copper favors metallacycle formation and subsequent epoxidation.