Quantum-chemical studies of homoleptic iridium(III) complexes in OLEDs: fac versus mer isomers
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DOI: 10.1007/s00894-019-4035-2
Abstract: A series of facial fac-[Ir(5-R-bzq)3] and meridional mer-[Ir(5-R-bzq)3] Ir(III) complexes bearing benzo[h]quinoline-based ligands have been studied with the help of density functional theory (DFT) methods. A detailed electronic structure comparison of the two isomers has… read more here.
Keywords: quantum chemical; mer; chemical studies; iii complexes ... See more keywords