title: Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
abstract: Palladium-catalysed processes for the formation of carbon-carbon bonds, i.e., coupling reactions of organic halides (R(1)X) and main-group organometallic compounds (R(2)M) are most frequently applied in synthesizing biologically and pharmaceutically important organic molecules. In this article, we provide a critical review on theoretical studies of the palladium-catalysed carbon-carbon cross-coupling reactions, and give an up-to-date summary of the current understanding of the cross-coupling reactions from a theoretical point of view (108 references).
authors.affiliation: Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong.
authors.forename: Liqin
authors.initials: L
authors.lastname: Xue
authors.forename: Zhenyang
authors.initials: Z
authors.lastname: Lin
mesh_terms: D002244:Carbon / Q000737:chemistry*; D002384:Catalysis; D007536:Isomerism; D008962:Models, Theoretical; D009942:Organometallic Compounds / Q000737:chemistry; D010084:Oxidation-Reduction; D010165:Palladium / Q000737:chemistry*
chemical_list: D009942:Organometallic Compounds; D010165:Palladium; D002244:Carbon