Molecular mechanism of acid-triggered aryl-halide reductive elimination in well-defined aryl-Cu-III-halide species

TitleMolecular mechanism of acid-triggered aryl-halide reductive elimination in well-defined aryl-Cu-III-halide species
Publication TypeJournal Article
Year of Publication2010
AuthorsCasitas, A, Poater, A, Sola, M, Stahl, SS, Costas, M, Ribas, X
JournalDalton Transactions
Volume39
Pagination10458-10463
Accession NumberISI:000283601900014
Keywordsactivation, Bond formation, Chemistry, Inorganic & Nuclear, Complexes, copper, Coupling reactions, density, exchange, halogen, ligands, monocarbonyls
Abstract

Well-defined aryl-Cu-III-halide species undergo reductive elimination upon acid addition resulting in the formation of strong aryl-halide bonds. The computationally studied mechanism points towards ligand protonation as the rate-determining step, in agreement with previous experimental data.

Short TitleDalton Trans