Implementation of anti-reflection coating to enhance light out-coupling in organic light-emitting devices

We report significant enhancement of light out-coupling in organic light-emitting devices (OLEDs) by means of anti-reflection coating of magnesium fluoride (MgF₂) on the backside of glass substrate. OLEDs were fabricated by employing the green electrophosphorescent material fac tris-(2-phenylpyridine) iridium [Ir(ppy)₃] doped in 4,4′,8-N,N-8-dicarbazole-biphenyl (CBP) and 0.4 wt% tetrafluorotetracyano-quinodimethane (F4-TCNQ)-doped naphthylphenylbiphenyl diamine (α-NPD) as hole transport layer (HTL). Single-layer MgF₂ with the thickness of λ/4 was then vacuum deposited on the backside of glass substrate of OLED. About two-fold enhancement in luminance with anti-reflection coating of MgF₂ has been observed.     

Studies on drug–DNA complexes,adriamycin–d‐(TGATCA)2 and 4′‐epiadriamycin–d‐(CGATCG)2, by phosphorus‐31 nuclear magnetic resonance spectroscopy

The complexes of adriamycin–d‐(TGATCA)₂ and 4′‐epiadriamycin–d‐(CGATCG)₂ are studied by one‐ and two‐dimensional ³¹P nuclear magnetic resonance spectroscopy (NMR) at 500 MHz in the temperature range 275–328 K and as a function of drug to DNA ratio (0.0–2.0). The binding of drug to DNA is clearly evident in ³¹P? ³¹P exchange NOESY spectra that shows two sets of resonances in slow chemical exchange. The phosphate resonances at the intercalating steps, T1pG2/C1pG2 and C5pA6/C5pG6, shift downfield up to 1.7 ppm and that at the adjacent step shift downfield up to 0.7 ppm, whereas the central phosphate A3pT4 is relatively unaffected. The variations of chemical shift with drug to DNA ratio and temperature as well as linewidths are different in each of the two complexes. These observations reflect change in population of B_I/B_II conformation, stretching of backbone torsional angle ζ, and distortions in O? P? O bond angles that occur on binding of drug to DNA. To the best of our knowledge, there are no solution studies on 4′‐epiadriamycin, a better tolerated drug, and binding of daunomycin or its analogue to d‐(TGATCA)₂ hexamer sequence. The studies report the use of ³¹P NMR as a tool to differentiate various complexes. The specific differences may well be the reasons that are responsible for different antitumor action of these drugs due to different binding ability and distortions in DNA. Copyright © 2009 John Wiley & Sons, Ltd.     

The mechanism of sonochemical degradation of a cationic surfactant in aqueous solution

The sonochemical degradation of the cationic surfactant, laurylpyridinium chloride (LPC), in water was studied at concentrations of 0.1-0.6 mM, all below its critical micelle concentration (15 mM). It has been found that the initial step in the degradation of LPC occurs primarily by a pyrolysis pathway. Chemical analysis of sonicated solutions by gas chromatography, electrospray mass spectrometry, and high performance liquid chromatography reveals that a broad range of decomposition products, hydrocarbon gases and water-soluble species, are produced. Propionamide and acetamide were identified as two of the degradation intermediates and probably formed as the result of the opening of the pyridinium ring following OH radical addition. Most of the LPC is eventually converted into carboxylic acids. The complete mineralization of these carboxylic acids by sonolysis is however a comparatively slow process due to the hydrophilic nature of these low molecular weight products.     

DFT studies on the acid-catalyzed Curtius reaction: the Schmidt reaction

The Schmidt reaction is the acid-catalyzed analogue of the Curtius reaction and is extensively used in organic synthesis. In this work, the mechanism of this reaction has been explored using DFT calculations at the B3LYP/6-311+G(d,p) level. Protonated formyl azide may undergo rearrangement to the product, protonated isocyanic acid, with simultaneous extrusion of molecular nitrogen (concerted mechanism), or undergo rearrangement to the anti conformer, followed by removal of nitrogen to form the nitrenium ion, which then rearranges to the final product, protonated isocyanic acid (step-wise mechanism). Like the Curtius reaction, it is found that the concerted pathway is definitely preferred. The key role of acidification in decreasing the overall energy barrier is more highlighted in case of phenyl substitution, with negligible effect on the lower homologues. For methoxy and amine substituents, there is very little difference in the activation energies of the concerted and step-wise reactions, with the former being still slightly preferred. Unlike the parent compound, the rearrangement of substituted nitrenium ion in some cases involves side reactions like C-H insertion and cyclization.     

Synthesis and antibacterial activity of some 5-hydroxy-5-trifluoromethyl-4,5-dihydropyrazol-1-thiocarboxamides, 3-trifluoromethylpyrazol-1-thiocarboxamides and 4-aryl-2-(5(3)-trifluoromethyl-1-pyrazolyl)thiazoles

5-Hydroxy-5-trifluoromethyl-4,5-dihydropyrazol-1-thiocarboxamides 3 and 3-trifluoromethylpyrazol-1-thiocarboxamides 4, regioselectively obtained by the condensation of trifluoromethyl-β-diketones with thiosemicarbazide under neutral and acidic conditions, on further reaction with phenacyl bromides 5 afforded 4-aryl-(5-trifluoromethyl-pyrazol-1-yl)thiazoles 6 and 4-aryl-(3-trifluoromethyl-pyrazol-1-yl)thiazoles 7, respectively. Five 4,5-dihydropyrazoles (3a–e) and two pyrazolylthiazoles (6a and 6c) were tested against one Gram-positive and one Gram-negative bacteria to assess their in vitro antibacterial activity. Compounds 3a, 3b and 3e showed moderate antibacterial activity against Gram-positive bacterium, Bacillus pumilus.     

A mathematical fractional model with nonsingular kernel for thrombin receptor activation in calcium signalling

In calcium signalling, activation of receptor is a very significant aspect. To understand the mechanism of calcium signalling, receptors are the important components. The mobilization of intracellular calcium from intracellular stores depends upon binding of agonist to cell surface receptor. Thrombin is chosen as model ligand. In order to understand thrombin receptor activation, we analyze fractional model incorporating derivative of arbitrary order and nonsingular kernel which can precisely describe the effect of memory and can explain the model in better and more efficient manner as compared with fractional operators with singular kernels. The problem has been solved by perturbation iterative method. Using fixed‐point theorem, it is proved that solution of the system will exist and also it will be unique.     

Modular assembly of a preorganised, ditopic receptor for dicarboxylates

Two types of calix[4]arene derived hosts for anions with, respectively, 1,3-alternate and cone conformations have been prepared; the 1,3-alternate system binds dicarboxylate anions in a ditopic manner while the cone compounds are deprotonated by carboxylates.     

White organic light emitting diodes based on DCM dye sandwiched in 2-methyl-8-hydroxyquinolinolatolithium

Stable white electroluminescence (EL) has been achieved from organic LED, in which an ultrathin 4-(dicyanomethylene)-2-methyl-6-(p-dimethyl-aminostyryl)-4H-pyran (DCM) dye layer has been inserted in between two 2-methyl-8-hydroxyquinolinolatolithium [LiMeq] emitter layer and by optimizing the position of the DCM dye layer from the α-NPD/LiMeq interface. Electroluminescence spectra, current-voltage-luminescence (I-V-L) characteristics of the devices have been studied by changing the position of the dye layer. As the distance of DCM layer from α-NPD/LiMeq interface is increased, the intensity of host emission enhances rapidly. Introduction of thin layer of DCM in emissive layer increases the turn on voltage. The best Commission International de L’ Eclairage (CIE) coordinates i.e. (0.32, 0.33) were obtained with device structure ITO/α-NPD(30 nm) /LiMeq(10 nm)/DCM(1 nm)/LiMeq(25 nm)/BCP(6 nm)/Alq₃(28 nm)/LiF(1 nm)/Al(100 nm). The EL spectrum covers the whole visible spectra range 400-700 nm. The color rendering index (CRI) for our best white light (Device 4) is 47.4. The device shows very good color stability in terms of CIE coordinates with voltages. The maximum luminescence 1240 cd/m⁻² has been achieved at 19 V.     

Electric field and temperature dependence of hole mobility in electroluminescent PDY 132 polymer thin films

The current density–voltage ($J\text{–}V$) behavior of polymer PDY 132 thin films has been investigated in hole-only device configuration, viz., ITO/poly(ethylene-dioxthiophene):polystyrenesulphonate (PEDOT:PSS)/PDY 132/Au, as a function of polymer (PDY) film thickness (150 nm and 200 nm) and temperature (290–90 K). Hole current density was found to follow two distinct modes of conduction, (i) low electric field region I: ohmic conduction where slope $～1$, and (ii) intermediate and high electric field region II: non ohmic conduction where slope $～2$. Region I has been attributed to the transport of intrinsic background charge carriers while region II has been found to be governed by space charge limited currents (SCLC) with hole mobility strongly dependent on electric field and temperature. The respective hole transport parameters determined from the SCLC regime, ${\mu }_{p0}$ is $3.7\times 10^{?3}{m}^2/Vs$, ${\mu }_p(0,T)$ is $3.7\times 10^{?8}{m}^2/Vs$, and zero field activation energy (${\Delta }_0$) of 0.48 eV is obtained.