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.     

A parameter-uniform scheme for singularly perturbed partial differential equations with a time lag

A numerical scheme for a class of singularly perturbed delay parabolic partial differential equations which has wide applications in the various branches of science and engineering is suggested. The solution of these problems exhibits a parabolic boundary layer on the lateral side of the rectangular domain which continuously depends on the perturbation parameter. For the small perturbation parameter, the standard numerical schemes for the solution of these problems fail to resolve the boundary layer(s) and the oscillations occur near the boundary layer. Thus, in this paper to resolve the boundary layer the extended cubic B-spline basis functions consisting of a free parameter λ are used on a fitted-mesh. The extended B-splines are the extension of classical B-splines. To find the best value of λ the optimization technique is adopted. The extended cubic B-splines are an advantage over the classical B-splines as for some optimized value of λ the solution obtained by the extended B-splines is better than the solution obtained by classical B-splines. The method is shown to be first-order accurate in t and almost the second-order accurate in x. It is also shown that this method is better than some existing methods. Several test problems are encountered to validate the theoretical results.     

Orientational order parameter estimated from molecular polarizabilities – an optical study

An optical study of N-(p-n-alkyloxybenzylidene)-p-n-butyloxyanilines, nO.O4 compounds with the alkoxy chain number n?=?1, 3, 6, 7, and 10 has been carried out by measuring the refractive indices using modified spectrometer and direct measurement of birefringence employing the Newton's rings method. Further, the molecular polarizability anisotropies are evaluated using Lippincott δ-function model, the molecular vibration method, Haller's extrapolation method, and scaling factor method. The molecular polarizabilities α _e and α ₀ are calculated using Vuk's isotropic and Neugebauer anisotropic local field models. The order parameter S is estimated by employing the molecular polarizability values determined from experimental refractive indices and density data and the polarizability anisotropy values. Further, the order parameter S is also obtained directly from the birefringence data. A comparison has been carried out among the order parameter obtained from different ways and the results are compared with the body of the data available in the literature.     

Study of crystalline perfection and thermal analysis of zinc cadmium thiocyanate single crystals grown in silica gel

Zinc cadmium thiocyanate ZnCd(SCN)₄ abbreviated as ZCTC is a bimetallic thiocyanate complex that exhibits excellent nonlinear optical property. Single crystals of ZCTC have been grown in silica gel by the process of diffusion. Colorless transparent crystals of size 12 mm x 2 mm x 1.3 mm have been obtained. High resolution X‐ray diffraction study was carried out to investigate the crystalline perfection of the grown crystal and the quality of the crystal was found to be quite good. Thermal stability of the grown crystal was investigated by thermogravimetric and differential thermal analyses. Fourier Transform Infrared spectrum was recorded to confirm the functional groups. Microhardness of the crystal is also studied. Being a nonlinear optical material, a comparative study of its second harmonic generation efficiency with urea has been made. (© 2007 WILEY ‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Pyrazole‐4‐carboxylic Acids from Vanadium‐catalyzed Chemical Transformation of Pyrazole‐4‐carbaldehydes

The conversion of aldehydes into carboxylic acids using oxidizing agents is a common protocol in transformation chemistry. An efficient oxidation strategy of transformation of pyrazole‐4‐aldehydes to the corresponding acids using vanadium catalysts in the presence of 30% H₂O₂ as an oxidant is described. The catalytic technology was successfully applied to a range of various 4‐formylpyrazoles, and plausible mechanism is also discussed.     

Synthesis of Dihydropyridine Derivatives under Eco‐friendly Approach and Investigation of Cytotoxic Activity

In an effort for development of innovative biologically active agents, a sequence of 1,4‐dihydropyridine analogues was synthesized through the green synthetic method. In addition, all compounds were evaluated for their cytotoxic activities against three human cancer cell lines and mouse melanoma and figured out the most active compounds. Besides, promoter reusability, easy handling of the chemical reagent, simple reaction process, time minimization, ethanol–water solvent compatibility, and cost reduction reagent are key tools for this fruitful path. Thus, these examinations recommended that dihydropyridine and their derivatives are motivating moieties for the discovery of new anticancer drugs.     

An alternative synthetic strategy for (3R),(5R)-5-hydroxy-de-O-methyllasiodiplodin and its epimer

A concise total synthesis of (3R),(5R)-5-hydroxy-de-O-methyllasiodiplodin and its epimer have been synthesized from commercially available (R)-propylene oxide and Orsellinic acid as starting materials. The key steps involved in the synthesis are Wittig reaction, epoxide ring opening with 1,3-dithiane intermediate and Yamaguchi macrolactonization.     

Nitrosubstituted hydroxamate ligands in new triphenyltin(IV) complexes as prospective antimicrobial agents

New triphenyltin(IV) hydroxamate complexes, [Ph₃Sn(4-NO₂CnH)] and [Ph₃Sn(4-NO₂BzH)] have been synthesized by the reactions of Ph₃SnCl with potassium 4-nitrocinnamo hydroxamate [4-NO₂C₆H₄CHCHCONHOK] (KHL¹) and potassium 4-nitro benzohydroxamate [4-NO₂C₆H4CONHOK] (KHL²). The complexes were synthesized in 1:1 molar ratio in MeOH?+?C₆H₆ and characterized by physicochemical and IR, ¹H NMR, and mass spectrometry. The bidentate hydroxamate involving bonding through carbonyl and hydroxamic oxygen (O, O coordination) has been inferred from IR spectra. The electrochemical behavior of complexes has been analyzed. Quasi-irreversible two electron metal-centered cathodic process of type Sn^IV/Sn^II redox couple was indicated by cyclic voltammetric technique. The thermal behavior of 1 and 2 studied by TGA has shown continuous decomposition to yield Sn + 0.5SnO₂ and SnO₂ as final residues. The in vitro antimicrobial activity assays of 1 and 2 against pathogenic Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus), Gram-negative bacteria (Salmonella typhi and Pseudomonas aeruginosa), and fungi (Aspergillus fumigatus and Alternaria alternata) were done by MIC method. The complexes have exhibited appreciable antimicrobial activity relative to the respective standard Gentamycin and Nystatin drugs.     

Structural,thermal and ion transport studies on nanocomposite polymer electrolyte-{(PEO + SiO<Subscript>2</Subscript>):NH<Subscript>4</Subscript>SCN} system

Development and characterisation of polyethylene oxide (PEO)-based nanocomposite polymer electrolytes comprising of (PEO-SiO₂): NH₄SCN is reported. For synthesis of the said electrolyte, polyethylene oxide has been taken as polymer host and NH₄SCN as an ionic charge supplier. Sol–gel-derived silica powder of nano dimension has been used as ceramic filler for development of nanocomposite electrolytes. The maximum conductivity of electrolyte ∼2.0 × 10⁻⁶ S/cm is observed for samples containing 30 wt.% silica. The temperature dependence of conductivity seems to follow an Arrhenius-type, thermally activated process over a limited temperature range.     

An efficient numerical approach for solving a general class of nonlinear singular boundary value problems

Journal of Mathematical Chemistry - This paper is concerned with the development of a collocation method based on the Bessel polynomials for numerical solution of a general class of nonlinear...