Energy-efficient and deep-blue organic light-emitting diode (OLED) with long operating stability remains a key challenge to enable a disruptive change in OLED display and lighting technology. Part of the challenge is associated with a very narrow choice of the robust host materials having over 3 eV triplet energy level to facilitate efficient deep-blue emission and deliver excellent performance in the OLED device. Here we show the molecular design of new 1,3,5-oxadiazines (NON)-host materials with high triplet energy over 3.2 eV, enabling deep-blue OLED devices with a peak external quantum efficiency of 21%. A series of NON-host materials are prepared by the condensation of substituted arylhydrazines and cyclohexylcarbaldehyde in a 2:3 ratio. This straightforward "one-pot" procedure enables the formation of indoline-containing derivatives with three fused heterocyclic rings and two stereogenic centres. All materials emit UV-fluorescence in the range of 315-338 nm while possessing highly desirable characteristics for application in deep-blue OLED devices: good thermal stability, a wide energy gap (3.9 eV), a high triplet energy level of (3.3 eV), and excellent volatility during sublimation.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11659277 | PMC |
| http://dx.doi.org/10.1038/s42004-024-01377-y | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A computational study on the effect of structural isomerism on the excited state lifetime and redox energetics of archetype iridium photoredox catalyst platforms [Ir(ppy)2(bpy)]+ and Ir(ppy)3.
J Chem Phys
January 2025
Department of Chemistry and Biochemistry, University of Texas at El Paso, El Paso, Texas 79968, USA.
This study investigates the impact of structural isomerism on the excited state lifetime and redox energetics of heteroleptic [Ir(ppy)2(bpy)]+ and homoleptic Ir(ppy)3 photoredox catalysts using ground-state and time-dependent density functional theory methods. While the ground- and excited-state reduction potentials differ only slightly among the isomers of these complexes, our findings reveal significant variations in the radiative and non-radiative decay rates of the reactivity-controlling triplet 3MLCT states of these closely related species. The observed differences in radiative decay rates could be traced back to variations in the transition dipole moment, vertical energy gaps, and spin-orbit coupling of the isomers.
View Article and Find Full Text PDFUnderstanding the Reactivity of "Naked" Acyclic Carbene-like Species Featuring a Group 13 Element in the [4+1] Cycloaddition with Benzene.
Inorg Chem
January 2025
Department of Applied Chemistry, National Chiayi University, Chiayi 60004, Taiwan.
The chemical reactivity between benzene and the "naked" acyclic carbene-like (G13X) species, having two bulky N-heterocyclic boryloxy ligands at the Group 13 center, was theoretically assessed using density functional theory computations. Our theoretical studies show that (BX) preferentially undergoes C-H bond insertion with benzene, both kinetically and thermodynamically, whereas the (AlX) analogue favors a reversible [4 + 1] cycloaddition. Conversely, the heavier carbene analogues ((GaX), (InX), and (TlX)) are not expected to engage in a reaction with benzene.
View Article and Find Full Text PDFCyclometalated Au(III) complexes with alkynylphosphine oxide ligands: synthesis and photophysical properties.
Dalton Trans
January 2025
Institute of Chemistry, St Petersburg University, Universitetskii pr. 26, 198504 St. Petersburg, Russia.
A series of cyclometalated Au(III) complexes [Au(C^N^C)(C-L-P(O)Ph)] with C^N^C = 2,6-diphenylpyridine and alkynylphosphine oxide ligands (L = no linker, Au1; phenyl, Au2; biphenyl, Au3; naphthyl, Au4; anthracenyl, Au5) were synthesized and fully characterized by spectroscopic methods and single crystal XRD analysis. The complexes obtained exhibit triplet (Au1-Au3) and dual (Au4, Au5) emissions in solution, in the solid phase and in the PMMA film, whose characteristics depend on the linker's nature of the alkynylphosphine oxide ligand. The description of electronic transitions responsible for energy absorption and emission in Au(III) complexes was made on the basis of a detailed analysis of the results of DFT calculations and has shown to involve ILCT, LLCT and MLCT transitions of singlet and triplet nature.
View Article and Find Full Text PDFImpacts of β-diketonate terminal ligands on slow magnetic relaxation and luminescence thermometry in dinuclear Dy single-molecule magnets.
Dalton Trans
January 2025
Department of Chemistry and Biomolecular Sciences, University of Ottawa, 10 Marie Curie, Ottawa, Ontario, K1N6N5, Canada.
Lanthanide-based Single-Molecule Magnets (SMMs) with optical and magnetic properties provide a means to understand intrinsic energy levels of 4f ions and their influence on optical and magnetic behaviour. Fundamental understanding of their luminescent and slow relaxation of the magnetization behaviour is critical for targeting and designing SMMs with multiple functionalities. Herein, we seek to investigate the role of Dy coordination environment and fine electronic structure on the slow magnetic relaxation and luminescence thermometry.
View Article and Find Full Text PDFHot-Exciton Mechanism with Diphenyl Anthracene Core Unit: A Detailed Theoretical Study.
Chem Asian J
January 2025
Birla Institute of Technology & Science Pilani - Hyderabad Campus, Chemistry, INDIA.
Hot-exciton materials, among all kinds of organic light-emitting diode (OLED) emitters, have better exciton utilization efficiency and efficiency roll-off, making them possible for their practical applications. We studied the photophysical properties of a few hot-exciton molecules based on an anthracene core unit to efficiently harvest all triplet excitons to the lowest excited singlet state. The conversion of triplet exciton to singlet exciton utilizing hRISC can be enhanced due to the 1ππ*←3nπ* transition channel.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!