Stereoselective Hydrogenation of Acetylene on Copper Catalysts: A Quantum-Chemical Study
Kinetics and Catalysis
, E-ISSN: 1608-3210
Institute of Organic Catalysis and Electrochemistry, Academy of Sciences of Kazakhstan, Almaty, Kazakhstan
Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia
The structure of the alkyne adsorption complex on the copper surface is favorable for the stereoselective formation of cis isomers in the hydrogenation reaction. The pathway of dissociative hydrogen adsorption on copper is reported. It is assumed that the electron-donating promoter acts to reduce the electron work function of the copper catalyst by partially covering or “decorating” the surface of the copper particles.