The Effect of Aryl Substitution on the Properties of a Series of Highly Absorptive Cationic Iridium(III) Complexes Bearing Ancillary Bis(arylimino)acenaphthene Ligands

Kamrul Hasan, Eli Zysman-Colman*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)

Abstract

A family of cationic heteroleptic iridium(III) complexes of the form [Ir(ppy)(2)(Ar-BIAN)]PF6 (ppyH = 2-phenylpyridine) in which Ar-BIAN [bis(arylimino)acenaphthene] acts as an ancillary ligand were synthesized and characterized. Their ground-state electronic structures were probed by UV/Vis spectroscopy and cyclic voltammetry. The X-ray structure of [Ir(ppy)(2)(4-MeO2CPh-BIAN)]PF6 was solved. The first and second reduction wave potentials are strongly influenced by the substituent on the Ar-BIAN ligand and follow a Hammett relationship. The absorption spectra for complexes incorporating an electron-donating Ar-BIAN ligand are noticeably redshifted, and absorption tails off past 800 nm. Notably, the absorption spectrum for [Ir(ppy)(2)(4-NMe2Ph-BIAN)]PF6 shows an intense band centered at 576 nm, and it was assigned computationally to a mixed metal-to-ligand charge-transfer/ligand-to-ligand charge-transfer state.

Original languageEnglish
Pages (from-to)4421-4429
Number of pages9
JournalEuropean Journal of Inorganic Chemistry
Volume2013
Issue number25
DOIs
Publication statusPublished - 2 Sept 2013

Keywords

  • N ligands
  • Panchromic absorbers
  • Iridium
  • Structure-activity relationships
  • Optoelectronic properties
  • DENSITY-FUNCTIONAL THEORY
  • BIDENTATE NITROGEN LIGANDS
  • MOLECULAR-ORBITAL METHODS
  • ALPHA-DIIMINE LIGANDS
  • EXTENDED BASIS-SETS
  • VALENCE BASIS-SETS
  • COMPACT EFFECTIVE POTENTIALS
  • EXPONENT BASIS-SETS
  • ORGANOMETALLIC COMPOUNDS
  • STRUCTURAL-CHARACTERIZATION

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