Structural,thermal, and spectral characterization of the different crystalline forms of Alq3, tris(quinolin-8-olato)aluminum(III), an electroluminescent material in OLED technology

The interest in organic materials for use in organic light-emitting diodes (OLEDs) began with the pioneering report of efficient green electroluminescence from Alq₃, tris(quinolin-8-olato)aluminum(III), by Tang and Van Slyke [C.W. Tang, S.A. Van Slyke, Appl. Phys. Lett. 51 (1987) 913]. After more than 20 years of intense research and development in OLEDs, Alq₃ continues to be a widely used electroluminescent material in OLED technology. Alq₃ is used in the electron-transport and/or electron-injecting layer in multilayer device structures and also as an effective host material for various dyes. Much is known about the properties of this metal chelate complex, yet much remains unknown despite numerous studies. In recent years, five crystalline phases (α, β, γ, δ, and ε) of Alq₃ have been identified. In the present report, a combined structural, thermal, and spectroscopic (Raman, fluorescence, and nuclear magnetic resonance) analysis of different crystalline phases of Alq₃ is presented.     

How does contrasting dependence of impurity-atom diffusivity on the density of host disordered medium arise?

We report results of molecular dynamics investigations into neutral impurity diffusing within an amorphous solid as a function of the size of the diffusant and density of the host amorphous matrix. We find that self diffusivity exhibits an anomalous maximum as a function of the size of the impurity species. An analysis of properties of the impurity atom with maximum diffusivity shows that it is associated with lower mean square force, reduced backscattering of velocity autocorrelation function, near-exponential decay of the intermediate scattering function (as compared to stretched-exponential decay for other sizes of the impurity species) and lower activation energy. These results demonstrate the existence of size-dependent diffusivity maximum in disordered solids. Further, we show that the diffusivity maximum is observed at lower impurity diameters with increase in density. This is explained in terms of the Levitation parameter and the void structure of the amorphous solid. We demonstrate that these results imply contrasting dependence of self diffusivity (D) on the density of the amorphous matrix, ρ. D increases with ρ for small sizes of the impurity but shows an increase followed by a decrease for intermediate sizes of the impurity atom. For large sizes of the impurity atom, D decreases with increase in ρ. These contrasting dependence arises naturally from the existence of Levitation Effect.      

A characterization of a class of [Z] groups via Korovkin theory

We characterize all the central topological groupsG for which the centreZ(L ¹(G)) of the group algebra admits a finite universal Korovkin set. It is proved thatZ(L ¹(G)) has a finite universal Korovkin set iffĜ is a finite dimensional, separable metric space. This is equivalent to the fact thatG is separable, metrizable andG/K has finite torsion free rank, whereK is a compact open normal subgroup of certain direct summand ofG.     

To Study the Effect of Nanoparticle TiO2 on Sodium (Na+) – Ion Conducting Solid Polymer Electrolyte System: [80PEO:20NaPF6]

To study the effect of nanofiller particle TiO₂ on sodium (Na⁺) – ion conducting solid polymer electrolyte (SPE) film: [80PEO:20NaPF₆] and nanocomposite polymer electrolyte (NCPE): [80PEO:20NaPF₆] + xTiO₂, where x = 1–9 wt. (%) have been prepared. SPE film composition: [80PEO:20NaPF₆] selects as Ist-phase host and nano-sized (<100 nm) filler materials TiO₂ as IInd-phase dispersoid. Both SPE and NCPE films have been prepared by the hot-press technique. Filler particle-dependent conductivity study reveals the NCPE system: [80PEO:20NaPF₆] + 8TiO₂ as the highest conducting composition with σ_rt − 3.53 × 10⁻⁶ S cm⁻¹, which is approximately one order of magnitude higher than the SPE optimum conducting composition (OCC) (σ_rt) ≈ 7.78 × 10⁻⁷ S cm⁻¹. Ion transport properties for both SPE and NCPE system have been evaluated in terms of ionic conductivity (σ) and total ionic (t_ion)/cationic (t₊) transference numbers using combined AC/DC techniques in order to evaluate its usefulness in all-solid-state battery applications. Structural/thermal properties have been characterized using X-ray diffraction (XRD) and differential scanning calorimetry (DSC) techniques. A cyclic voltammetry (CV) study has been performed in SPE and NCPE OCC film to evaluate the electrochemical performance for battery application.     

Formation of Mg2Ni nanofibres in a Mg-based metal matrix composite

A Mg–Mg₂Ni nano-eutectic and MgO-reinforced Mg-based metal matrix composite (Mg-MMC) was synthesized by in-situ reactions. When a Mg-rich sample containing 20?wt%?NiO is sintered at 420°C, MgO, Ni and Mg₂Ni are formed in the Mg matrix. When a sample molten at 550°C is furnace-cooled to room temperature, a lamellar two-phase Mg–Mg₂Ni eutectic is formed, with the Mg₂Ni lamella about 1.5?µm thick. Proeutectic Mg together with the MgO formed in situ act as heterogeneous nuclei for the growth of the Mg–Mg₂Ni eutectic. Quenching the molten sample to room temperature results in a lamellar two-phase eutectic containing Mg₂Ni nanofibres. In the eutectic grown at the Mg grain, the Mg₂Ni nanofibres with a diameter of about 25?nm are bent, whereas in the eutectic grown at the MgO grain, the Mg₂Ni nanofibres with a diameter of about 30?nm are long and straight, while the Mg phase of this eutectic is oxygen enriched. The differences in morphologies between the two Mg–Mg₂Ni eutectics are ascribed to the growth rates of Mg and Mg₂Ni, which differ in the eutectic grown at the Mg grain, but remain similar when growth takes place at the MgO grain.     

Simulative investigations of power penalty for DWDM link in the presence of FWM

In this paper, the eight channels dense wavelength division multiplexing (DWDM) optical communication system has been simulated, and power penalty introduced due to neighboring channels required to compensate the crosstalk has been calculated. It has been observed that the intermediate channels are more affected as compared to the boundary channels and more power is required to compensate the loss of information due to crosstalk.     

Highly efficient, selective, and general method for the preparation of meridional homo- and heteroleptic tris-cyclometalated iridium complexes

A highly efficient and general method based on transmetalation with an organozinc reagent is developed for selective preparation of homo- and heteroleptic meridional tris-cyclometalated iridium complexes. The molecular structure of mer-Ir(1-piq)2(ppy) (2) has been determined by a single-crystal X-ray diffraction analysis. The emission properties of a series of meridional complexes are reported.     

Hydrogen Bonded Triple Helical Structure of 3-Hydroxyquinoxaline-2-carboxalidine-4-aminoantipyrine

Abstract  

The title compound, C₂₀H₁₇N₅O₂·2H₂O, was synthesized by the condensation of 3-hydroxyquinoxaline-2-carboxaldehyde with 4-aminoantipyrine. The crystal structure was determined at 100 K. The molecule crystallizes in the amide tautomeric form with two molecules of lattice water in the trigonal space group P [`3] \overline{3} with a = 19.651(2) ?, c = 8.831(2) ?, Z = 6, V = 2953.3(9) ?³. Molecules assemble into a triple helix by intermolecular hydrogen bonds. The pitch distance of the helix is 26.493 ?. DFT calculations on gas phase models reveal that the iminol form of the compound is relatively stable by 3.1 kJ mol⁻¹.