We report a series of highly emissive azatriangulenetrione (TANGO) solids in which the luminescent properties are controlled by engineering the molecular packing by adjusting the steric size of substituents. The co-alignment of "phosphorogenic" carbonyl groups within the π-stacks results in an almost pure triplet emission in HTANGO, TCTANGO, TBTANGO and TITANGO, while their rotation by ≈60° in the sterically hindered tBuTANGO leads to an almost pure singlet emission. Despite strong π-interactions, aggregation-induced quenching and triplet-triplet annihilation are avoided in HTANGO and TCTANGO which display efficient phosphorescence in the solid state. To our knowledge, HTANGO with the solid-state phosphorescence quantum yield of 42 % at room temperature is the most efficient phosphor composed of the 1 /2 raw elements only.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/anie.201913393 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Bound-States-in-the-Continuum-Induced Directional Photoluminescence with Polarization Singularity in WS Monolayers.
Nano Lett
January 2025
Department of Chemical Engineering, Pohang University of Science and Technology (POSTECH), Pohang 37673, Republic of Korea.
Monolayer transition metal dichalcogenides are promising materials that not only are atomically thin but also have direct bandgaps, making them highly regarded in optics and optoelectronics. However, their photoluminescence exhibits almost random polarization at room temperature. The emission is also omnidirectional and weak due to the low quantum yield.
View Article and Find Full Text PDFDFT investigation of green stabilizer reactions: curcumin in nitrocellulose-based propellants.
J Mol Model
January 2025
Department of Chemistry, Military Institute of Engineering, Praça General Tibúrcio 80, Rio de Janeiro, Brazil.
Context: Nitrocellulose, widely used in energetic materials, is prone to thermal and chemical degradation, compromising safety and performance. Stabilizers are molecules used in the composition of nitrocellulose-based propellants to inhibit the autocatalytic degradation process that produces nitrous gases and free nitric acids. Curcumin, (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, known for its antioxidant properties and a potential green stabilizer, was investigated using Density Functional Theory (DFT) focusing on its interaction with nitrogen dioxide.
View Article and Find Full Text PDFMagnetic phase transition and magnetocaloric effect in hexagonal MnCoGe alloys mediated by axial strain: a Monte Carlo study.
Phys Chem Chem Phys
January 2025
Department of Physics, College of Sciences, Northeastern University, Shenyang 110819, China.
We report numerical studies of the magnetic phase transition and magnetocaloric effect in hexagonal MnCoGe alloys, controlled by axial strain applied along the -axis direction around room temperature. These studies are based on a combination of first-principles calculations and Monte Carlo simulations. Under compressive strains, the ferromagnetic state is stable, whereas under tensile strains, the ground state transforms into an antiferromagnetic state.
View Article and Find Full Text PDFDiverse reactivity of a cationic N-heterocyclic phosphenium complex towards anionic substrates - substitution reduction.
Dalton Trans
January 2025
Institut für Anorganische Chemie, University of Stuttgart, Pfaffenwaldring 55, 70550 Stuttgart, Germany.
A cationic N-heterocyclic phosphenium (NHP) iron tetracarbonyl complex was synthesised from the free cation and its behaviour towards various anionic reactants studied. Reactions with fluoride, chloride, and hydride sources proceeded under attachment of the anion at phosphorus to yield Fe(CO)-complexes of neutral diazaphospholenes, while bromide and iodide reacted under addition of the anion at the metal and decarbonylation to yield NHP iron halides. Reactions with amides and organometallics were unselective.
View Article and Find Full Text PDFLattice thermal conductivity and phonon properties of polycrystalline graphene.
Nanoscale Adv
December 2024
Department of Mechanical Engineering, IIT Bombay Mumbai Maharashtra India 400076
Using the spectral energy density method, we predict the phonon scattering mean lifetimes of polycrystalline graphene (PC-G) having polycrystallinity only along the -axis with seven different misorientation (tilt) angles at room temperature. Contrary to other studies on PC-G samples, our results indicate a strong dependence of the thermal conductivity (TC) on the tilt angles which we attribute to careful preparation of our grain boundaries-based samples without introducing any local strains and ensuring periodic boundary conditions for the supercells along the and axes. We also show that the square of the group velocity components along and axes and the phonon lifetimes are uncorrelated and the phonon density of states are almost the same for all samples with different tilt angles.
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!