Cationic iridium(III) complexes bearing a bis(triazole) ancillary ligand

Loic Donato, Philippe Abel, Eli Zysman-Colman*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

50 Citations (Scopus)

Abstract

Three new heteroleptic cationic iridium complexes of the form [Ir(C boolean AND N)(btl)](+), where btl = 1,1'-benzyl-4,4'-bi-1H-1,2,3-triazolyl and C boolean AND N = 2-phenylpyridine (ppyH) (1), 1-benzyl-4-phenyl-1H-1,2,3-triazole (phtl) (2) or 1-benzyl-4-(2,4-difluorophenyl)-1H-1,2,3-triazole (dFphtl) (3), were synthesized and isolated as their hexafluorophosphate (PF6-) salts and fully characterized. The single crystal structure of 3 has been solved. Along the series from 1-3 the absorption spectra shift hypsochromically while the electrochemical gap increases from 3.25 to 3.54 to 3.88 V. Acetonitrile solutions of 1 and 2 are poorly luminescent, sky-blue emitters with predominant ligand-centered and charge transfer character, respectively. Theoretical calculations support these assignments. Complex 3 is not photostable and decomposes to solvento-based structures of the form [Ir(dFphtl)(2)(ACN)(n)](+) (n = 1, 2) through a dissociation and degradation of the btl ligand.

Original languageEnglish
Pages (from-to)8402-8412
Number of pages11
JournalDalton Transactions
Volume42
Issue number23
DOIs
Publication statusPublished - 2013

Keywords

  • EMITTING ELECTROCHEMICAL-CELLS
  • MOLECULAR-ORBITAL METHODS
  • EXTENDED BASIS-SETS
  • VALENCE BASIS-SETS
  • COMPACT EFFECTIVE POTENTIALS
  • DENSITY-FUNCTIONAL THEORY
  • EXPONENT BASIS-SETS
  • ORGANOMETALLIC COMPOUNDS
  • CYCLOMETALATED LIGANDS
  • EXCITATION-ENERGIES

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