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UPSI Digital Repository (UDRep)
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| Abstract : Universiti Pendidikan Sultan Idris |
| The iridium(III) complex, Ir(bFppy)2(pyim) (bFppy = 2-(2-butoxy-4-fluorophenyl)pyridine and pyim = 2-(1H-Imidazol-2-yl)pyridine) was excellently prepared between 2-(1H-Imidazol-2-yl)pyridine and chloro-bridged iridium(III) dimer via reflux reaction. Butoxy functional group and fluorine atom were added to the phenyl ring of 2-phenylpyridine at positions 2 and 4 respectively, as cyclometalating ligand. The Ir(bFppy)2(pyim) complex was characterized by spectroscopic methods: FTIR, NMR, LCMS and UVVis absorption. The presence of two sharp peaks at 1256 cm?1 and 1129 cm?1 due to ?(CO) was revealed by IR analysis. The bands appear in the range of 15941567 cm?1 owing to the C[dbnd]C and C[dbnd]N aromatic ring stretching vibrations of phenyl and pyridine. The 1H NMR spectrum showed signals in the range of ? 5.508.60 ppm corresponding to phenylpyridine and pyridylimidazole protons. In contrast, the proton signals in the range of ? 0.804.50 ppm, assignable to butyl substituent. The UVVis spectrum displayed weaker and broader bands (333 nm and 376 nm) in the visible region due to the spin-forbidden 3MLCT transitions. The steady-state emission spectrum of the Ir(bFppy)2(pyim) complex in air-equilibrated methylene chloride solution at 298 K exhibited almost blue emission with a ?max at 466 nm. To support the experimental spectroscopic data, DFT and TD-DFT measurements were conducted using B3LYP in combination with the LanL2DZ basis set. The chemical shifts, vibrational modes and maximum absorptions of the Ir(bFppy)2(pyim) complex were relatively well reproduced. 2023 Elsevier B.V. |
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