Bis(n-heterocyclic carbene) dipalladium complexes: synthesis, solid-state conformational studies and solution behaviour

Charlotte E. Willans, Kirsty M. Anderson, Martin J. Paterson, Peter C. Junk, Leonard J. Barbour, Jonathan W. Steed

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32 Citations (Scopus)


New palladium(ïï) bis(N-heterocyclic carbene) (NHC) complexes have been prepared via metallomacrocyclic AgI Iigand transfer agents. Reaction, of 1,4-bis(3-isopropylimidazolium)xy1ene (la) hexafluorophosphate with Ag2O gives a AgI macrocyclic NHC complex in which two silver ions are sandwiched between two dipodal ligands (2a). The NHC moieties adopt a cisoid conformation relative to one another. Upon transfer to palladium to give [(PdCl2(MeCN)]2(DiSNHC)] (3a) the NHC ligands in the complexes adopt a mixture of cisoid and transoid conformers in the solid state, which have been characterized by X-ray crystallography. In CD 3CN solution the cisoid and transoid conformera interconvert and exhibit resonances for a single averaged form,. DFT calculations indicate an interconversion, barrier of 56kJmOl-1. In CDCl3 solution two different isomers are observed which have been assigned to isomers of a chloridebridged dimer (4a) following dissociation of the acetonitrile ligands. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

Original languageEnglish
Pages (from-to)2835-2843
Number of pages9
JournalEuropean Journal of Inorganic Chemistry
Issue number19
Publication statusPublished - Jul 2009


  • Carbene ligands
  • Conformation analysis
  • Metallacycles
  • Palladium
  • Transmetallation


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