Journal
INORGANIC CHEMISTRY
Volume 60, Issue 20, Pages 15467-15484Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.1c02121
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Funding
- Cardiff University (Knowledge Economy Skills Scholarships)
- STG Aerospace
- EPSRC UK National Crystallographic Service at the University of Southampton
- Jazan University, Saudi Arabia
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A series of ligands have been synthesized based upon a polysubstituted 2-phenylquinoxaline core structure, with different combinations of fluorine and methyl substituents. These ligands were investigated as cyclometalating agents for Ir(III) and displayed tunable luminescence properties with MLCT contributions to the lowest energy absorption.
A series of ligands have been synthesized based upon a polysubstituted 2-phenylquinoxaline core structure. These ligands introduce different combinations of fluorine and methyl substituents on both the phenyl and quinoxaline constituent rings. The resultant investigation of these species as cyclometalating agents for Ir(III) gave cationic complexes of the form [Ir((CN)-N-boolean AND)(2)(bipy)]PF6 (where (CN)-N-boolean AND = cyclometalating ligand; bipy = 2,2'-bipyridine). X-ray crystallographic studies were conducted on four complexes and each revealed the expected distorted octahedral geometry based upon a cis-C,C and trans-N,N ligand arrangement at Ir( III). Supporting computational studies predict that each of the complexes share the same general descriptions for the frontier orbitals. TD-DFT calculations suggest MLCT contributions to the lowest energy absorption and a likely MLCT/ILCT/ LLCT nature to the emitting state. Experimentally, the complexes display tunable luminescence across the yellow-orange-red part of the visible spectrum (lambda(em) = 579-655 nm).
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