Ir(I)–carbonyl complexes of coumarinazoimidazoles: Synthesis structure, electrochemistry, photophysical properties and DFT calculations |
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| Authors: | Papia Datta Dibakar Sardar Partha Mitra Chittaranjan Sinha |
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| Affiliation: | a Department of Chemistry, Jadavpur University, Kolkata 700 032, India;b Department of Inorganic Chemistry, Indian Association for the Cultivation of Science, Kolkata 700 032, India |
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| Abstract: | The reactions of Vaska’s complex [IrCl(CO)(PPh3)2] with 2-(coumaryl-6-azo)imidazole (CZ-H) and its derivatives (CZ-X) have synthesized [Ir(CZ)(CO)(PPh3)2] and [Ir(CZ-X)(CO)(PPh3)2]. All the complexes have been characterized by FT-IR, UV-Vis, 1H NMR and FAB-MS spectroscopy. The structural confirmation has been done in one case, by a single crystal X-ray diffraction study, which shows a distorted square pyramidal geometry around the central Ir atom. The complexes are emissive at room temperature. The cyclic voltammetry of the complexes shows a metal centered irreversible oxidation and ligand centered quasireversible reduction couples. To get an insight into the electronic structure, absorption spectra and electrochemical properties, detailed calculations on all three complexes have been performed at the DFT level. |
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| Keywords: | Coumarinazoimidazoles Ir(I)– carbonyl complex Fluorescence Electrochemistry DFT calculation |
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