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Ancillary ligand increases the efficiency of heteroleptic Ir-based triplet emitters in OLED devices.

ABSTRACT: The excellent contrast ratio, visibility, and advantages in producing thin and light displays let organic light emitting diodes change the paradigm of the display industry. To improve future display technologies, higher electroluminescence efficiency is needed. Herein, the detailed study of the non-radiative decay mechanism employing density functional theory calculations is carried out and a simple, general strategy for the design of the ancillary ligand is formulated. It is shown that steric bulk properly directed towards the phenylisoquinoline ligands can significantly reduce the non-radiative decay rate.

SUBMITTER: Baek SY

PROVIDER: S-EPMC7210992 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature

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Ancillary ligand increases the efficiency of heteroleptic Ir-based triplet emitters in OLED devices.

Baek Seung-Yeol SY Kwak Seung-Yeon SY Kim Seoung-Tae ST Hwang Kyu Young KY Koo Hyun H Son Won-Joon WJ Choi Byoungki B Kim Sunghan S Choi Hyeonho H Baik Mu-Hyun MH

Nature communications 20200508 1

The excellent contrast ratio, visibility, and advantages in producing thin and light displays let organic light emitting diodes change the paradigm of the display industry. To improve future display technologies, higher electroluminescence efficiency is needed. Herein, the detailed study of the non-radiative decay mechanism employing density functional theory calculations is carried out and a simple, general strategy for the design of the ancillary ligand is formulated. It is shown that steric b ...[more]

PMID: 32385259

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Project description:A series of cationic heteroleptic iridium(III) complexes bearing tris-diimine ligands [Ir(phen)2(R-phen)]3+ (R-phen = phenanthroline (1), 3,8-diphenylphenanthroline (2), 3,8-dipyrenylphenanthroline (3), 3-phenylphenanthroline (4), 3-pyrenylphenanthroline (5), and 3,8-diphenylethynylphenanthroline (6)) were synthesized and characterized. These complexes possessed phen ligand-localized 1?,?* transitions below 300 nm, and charge transfer (1CT) and/or 1?,?* transitions between 300 and 520 nm. In 1, 2, 4, and 6, the low-energy bands were mixed 1CT/1?,?*. However, the increased ?-donating ability of the pyrenyl substituent(s) in 3 and 5 split the low-energy bands into a pyrene-based 1?,?* transition at 300-380 nm and an intraligand charge transfer (1ILCT) transition at 380-520 nm. All complexes were emissive at room temperature in CH3CN, but the parentage of the emitting state varied depending on the R substituent(s). Complex 1 exhibited predominantly phen ligand-localized 3?,?* emission mixed with metal-to-ligand charge transfer (3MLCT) character, whereas the emission of 2, 4, and 6 was predominantly from the excited-state with 3?,?*/3ILCT/3MLCT character. The emission from 3 and 5 was dominated by pyrene-based 3?,?* states mixed with 3ILCT character. The different natures of the lowest triplet excited states were also reflected by the different spectral features and lifetimes of the triplet transient absorption of these complexes. Complexes 3 and 5 had singlet oxygen quantum yields as high as 81 and 72%, respectively. Both gave submicromolar phototoxicities toward cancer cells (SK-MEL-28 human melanoma) and bacteria ( S. aureus and S. mutans) with visible-light activation (and marginal to no photobiological activity with red light). Their visible-light phototherapeutic indices (PIs) toward SK-MEL-28 cells were 248 for 3 and >435 for 5; PIs were lower in bacteria (?62) because of their inherent antimicrobial activities. Both complexes were shown to produce substantial amounts of intracellular reactive oxygen species (ROS), which may account for their photobiological activities.

Dataset Information

Ancillary ligand increases the efficiency of heteroleptic Ir-based triplet emitters in OLED devices.

Publications

Ancillary ligand increases the efficiency of heteroleptic Ir-based triplet emitters in OLED devices.

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