2013
DOI: 10.1016/j.molstruc.2012.11.015
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Effects of the frontier orbitals on the electrochemical and electrochemiluminescent properties of the bis-cyclometalated iridium(III) complexes with different ligands

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Cited by 17 publications
(7 citation statements)
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“…The close correspondence of the E 1/2 for Ir 3+/4+ for all complexes 1 – 6 (Table ) suggests that the HOMO of the Ir 3+ center is not greatly perturbed by the substitution of the imidazole phenanthroline portion of the complexes. This is consistent with a HOMO that is centered on the metal and the 2-phenylpyridinato ligands . The 3+ and 4+ forms are stable over repeated CV scans.…”
Section: Resultssupporting
confidence: 76%
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“…The close correspondence of the E 1/2 for Ir 3+/4+ for all complexes 1 – 6 (Table ) suggests that the HOMO of the Ir 3+ center is not greatly perturbed by the substitution of the imidazole phenanthroline portion of the complexes. This is consistent with a HOMO that is centered on the metal and the 2-phenylpyridinato ligands . The 3+ and 4+ forms are stable over repeated CV scans.…”
Section: Resultssupporting
confidence: 76%
“…This is consistent with a HOMO that is centered on the metal and the 2-phenylpyridinato ligands. 69 The 3+ and 4+ forms are stable over repeated CV scans. The anodic and cathodic peak currents (i pa and i pc1 , respectively) were proportional to the square root of the scan rate (v 1/2 ) (Supporting Information Figure S11).…”
Section: Inorganic Chemistrymentioning
confidence: 94%
“…The calculation results indicated that for both the neutral and mono-cationic form, the methyl group could increase the HOMO and LUMO energies of the corresponding complex. According to previous studies, 40,41 the luminophore with the lower LUMO energy level of the monocationic form is usually expected to have a higher ECL intensity. In this work, the LUMO energy levels of both forms follow the same sequence: complex 1 < complex 2 < complex 4 < complex 3.…”
Section: Theoretical Calculationsmentioning
confidence: 93%
“…In the reported ECL experiments, TPrA was used as the co-reactant, with the results indicating a critical role of the ancillary ligands in the design and selection of iridium(III) complexes for any practical ECL applications. ECL efficiencies measured for the iridium(III) chelates investigated by Song et al [ 81 ] were reported to be very small, orders of magnitude smaller than characteristic for Ir(C^N) 2 (pic) or Ir(C^N) 2 (acac) chelates. Another class of the negatively charged N‑heterocyclic carbene C^C ancillary phenyl-substituted imidazolylidene ligands has been investigated by Hogan et al [ 82 ].…”
Section: Ecl Properties Of the Heteroleptic Iridium(iii) Chelatesmentioning
confidence: 96%
“…Noteworthy, the oxidative-reduction process with TPrA lead to much less efficient generation of 3* Ir(tpy) 2 (pic) species because the electron transfer from TPrA • to Ir(tpy) 2 (pic) + is thermodynamically insufficient to populate the excited to 3* Ir(tpy) 2 (pic) state. Song et al have investigated ECL properties of Ir(ppy) 2 (N^O) and Ir(pq) 2 (N^O) complexes with the anionic N^O co-ligands, deprotonated forms of N -phenylmethacrylamide, N -phenylacetamide, N -phenylbenzamide, and N -naphthylbenzamide [ 81 ]. In the reported ECL experiments, TPrA was used as the co-reactant, with the results indicating a critical role of the ancillary ligands in the design and selection of iridium(III) complexes for any practical ECL applications.…”
Section: Ecl Properties Of the Heteroleptic Iridium(iii) Chelatesmentioning
confidence: 99%