Theoretical Studies on the Addition of Polymetallic Lithium Organocuprate Clusters to Acetylene. Cooperative Effects of Metals in a Trap-and-Bite Reaction Pathway

摘要

Ab initio and density functional theoretical investigations into the nature of the reaction of acetylene with noncluster organocuprate reagents, MeCu, Me_2Cu~-, and lithium organocuprate cluster reagents, MeCuLi, Me_2 CuLi. LiCl, and (Me_2CuLi)_2 were carried out, and the function of the mixed metal cluster was probed.