TY - DATA T1 - Structure and Reactivity of “Unusual” N-Heterocyclic Carbene (NHC) Palladium Complexes Synthesized from Imidazolium Salts PY - 2004/04/28 AU - Hélène Lebel AU - Marc K. Janes AU - André B. Charette AU - Steven P. Nolan UR - https://acs.figshare.com/articles/journal_contribution/Structure_and_Reactivity_of_Unusual_N_Heterocyclic_Carbene_NHC_Palladium_Complexes_Synthesized_from_Imidazolium_Salts/3341641 DO - 10.1021/ja049759r.s003 L4 - https://ndownloader.figshare.com/files/5180854 KW - metalation site KW - palladium acetate KW - NHC ligand KW - palladium complexes KW - binding mode KW - IMES KW - Palladium Complexes Synthesized KW - Imidazolium Salts KW - imidazolium salt KW - novel palladium N2 - The reaction between palladium acetate and IMES·HCl leads to the formation of a novel palladium complex. The X-ray crystal structure analysis reveals that the palladium is C(2) bound to one NHC ligand (the normal binding mode), whereas the second ligand is attached through the C(5) carbon of the second imidazolium. The metalation site on the imidazolium salt is strongly influenced by the presence of base. Furthermore, the binding mode of the NHC to Pd is shown to substantially affect the catalytic behavior of the palladium complexes in cross-coupling reactions. ER -