Crystal structures of (azido)(pentamethylcyclopentadienyl)iridium(III) complexes containing various types of bidentate ligands

Takayoshi Suzuki, Mai Kotera, Asuka Takayama, Masaaki Kojima

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)


Several (azido)iridium(III) complexes having a pentamethylcyclopentadienyl (Cp*) group, [Cp*Ir(N3)2(Ph2Ppy-κP)] (1: Ph2Ppy = 2-diphenylphosphinopyridine), [Cp*Ir(N3)(Ph2Ppy-κP,κN)]CF3SO3 (2), [Cp*Ir(N3)(dmpm)]PF6 (3: dmpm = bis(dimethylphosphino)methane), [Cp*Ir(N3)(Ph2Pqn)]PF6·CH3OH (4·CH3OH: Ph2Pqn = 8-diphenylphosphinoquinoline), and [Cp*Ir(N3)(pybim)] (5: Hpybim = 2-(2-pyridyl)benzimidazole) have been prepared and their crystal structures have been analyzed by X-ray diffraction. In complex 1, the Ph2Ppy ligand is only coordinated via the P atom (-κP), while in 2 it acts as a bidentate ligand through the P and N atoms (-κP,κN) to form a four-membered chelate ring. Comparing the structural parameters of the chelate ring in 2 with those of a similar five-membered chelate ring formed by Ph2Pqn in 4, it became apparent that the angular distortion in the Ph2Ppy-κP,κN ring was remarkable, although the Ir-P and Ir-N bonds in the Ph2Ppy-κP,κN ring were not elongated very much from the corresponding bonds in the Ph2Pqn-κP,κN ring. In the pybim complex 5, the five-membered chelate ring was coplanar with the pyridine and benzimidazolyl rings. With the related (azido)iridium(III) complexes analyzed previously, comparison of the structural parameters of the Ir-N3 moiety in [Cp*IrIII(N3)(L-L′)]+/0 complexes reveals an anomalous feature of the 2,2′-bipyridyl (bpy) complex, [Cp*Ir(N3)(bpy)]PF6.

Original languageEnglish
Pages (from-to)2287-2293
Number of pages7
Issue number11
Publication statusPublished - Jul 6 2009


  • 2-(2-Pyridyl)benzimidazolate
  • 2-Pyridylphosphine
  • 8-Quinolylphosphine
  • Crystal structures
  • Iridium(III) azido complexes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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