N-heterocyclic carbene complexes of rhodium and iridium: Steric effects on molecular Conformation

Gary S. Nichol, Jonathan Rajaseelan, Laura J. Anna, Edward Rajaseelan

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

A series of new Rh triazole-based N-heterocyclic carbene (NHC) complexes [(cod)Rh(NHC)Cl] 2a-c were obtained by transmetallation from AgI complexes using n-butyl, benzyl and neopentyl NHC wing tip substituents. The corresponding new RhI ionic complexes (3a-c) were synthesized by treating compounds 2a-c with triphenylphosphane and AgBF4, These complexes were characterized by nmr spectroscopy and the structures of 2c, 3a, 3b, and 3c were determined by single-crystal X-ray diffraction, Compound 3b formed two polymorphs, the first: reported incidence of polymorphism in this type of NHC, Ir analogues, 4, of complexes 3a-c were also synthesized two complexes are isomorphous with the Rh analogues 4b and 4c while 4a has a different structure. Differences in syn and anti molecular conformation of the NHC ligands is rationalized in terms of stabilizing intramolecular C-H⋯π interactions and steric crowding of the PPh3 ligand.

Original languageEnglish
Pages (from-to)4320-4328
Number of pages9
JournalEuropean journal of inorganic chemistry
Issue number28
Publication statusPublished - Oct 2009

Keywords / Materials (for Non-textual outputs)

  • Carbene ligands
  • Iridium
  • Nitrogen heterocycles
  • Polymorphism
  • Rhodium


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