Hydrogen Activation on Copper Catalytic Sites in Stereoselective Alkyne Hydrogenation
Reaction Kinetics and Catalysis Letters
, E-ISSN: 1588-2837
Institute of Organic Catalysis and Electrochemistry of the National Academy of Sciences , Almaty, Republic of Kazakhstan
Federal Scientific Center, Boreskov Institute of Catalysis, Novosibirsk, Russia
The interaction of hydrogen with copper clusters has been studied using EHM/AP method (extended Hückel method with Anderson's potential). Copper atoms are shown to form a dihydride structure with a high stability, which is due to the low mobility of atomic hydrogen on the surface. The formation of this complex appears to be favorable for concerted hydrogenation of acetylenes to cis-olefins.