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Selective Propene Epoxidation on Immobilized Au 6–10 Clusters: The Effect of Hydrogen and Water on Activity and Selectivity
Author(s) -
Lee Sungsik,
Molina Luis M.,
López María J.,
Alonso Julio A.,
Hammer Bjørk,
Lee Byeongdu,
Seifert Sönke,
Winans Randall E.,
Elam Jeffrey W.,
Pellin Michael J.,
Vajda Stefan
Publication year - 2009
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.200804154
Subject(s) - propene , catalysis , selectivity , chemistry , ab initio , hydrogen , oxide , inorganic chemistry , heterogeneous catalysis , amorphous solid , ab initio quantum chemistry methods , photochemistry , molecule , organic chemistry
Epoxidation made easy : Subnanometer gold clusters immobilized on amorphous alumina result in a highly active and selective catalyst for propene epoxidation. The highest selectivity is found for gas mixtures involving oxygen and water, thus avoiding the use of hydrogen. Ab initio DFT calculations are used to identify key reaction intermediates and reaction pathways. The results confirm the high catalyst activity owing to the formation of propene oxide metallacycles. Al green, Au yellow, O red, and C gray.