Divalent transition metal ion mixed ligand complexes with aliphatic dicarboxylic acids and imidazoles

Summary Mixed ligand metal complexes of Co^II, Ni^II and Cu^II with dicarboxylic aliphatic acids, H₂L (succinic, malic and tartaric) as primary ligands and with imidazoles, L (imidazole and 2-methylimidazole) as secondary ligands were prepared and characterized. MLL₂ and ML₄ molecular formulae were suggested for these complexes were Formation constants of the different complexes were determined pH-metrically at T = 25 ± 0.1°C and = 0.1 mol dm^–3 (NaClO₄). The stability of the mixed ligand complexes increased as the effective basicity of the dicarboxylic aliphatic acid anion increased, namely, tartarate < malate < succinate acid.     

Electrochemical Investigation of Activated Carbon Electrode Supercapacitors

Supercapacitors, also called as ultracapacitors, are electrochemical energy-storage devices that exploit the electrostatic interaction between high-surface-area nanoporous electrodes and electrolyte ions, combining properties of conventional batteries and conventional capacitors. A symmetrical activated carbon (AC) electrode supercapacitor has been fabricated in a simple and inexpensive manner. The AC has been synthesized from Charcoal, has activated in a furnace at high temperatures. The electrode was fabricated by casting slurry made of AC and blended in a polymer solution on the counter electrode (current collector), appeared to have high mechanical strength. The electrochemical performance of the prepared samples was tested in 1 M KCl solution by cyclic voltammetry (CV), galvanostatic charge discharge technique, and impedance spectroscopy. The surface and cross-section of electrode was observed with SEM. Capacitance of fabricated supercapacitor has a favorable capacitance in the range of 65–70 F/g with low resistance. The AC electrode supercapacitor has excellent electro chemical reversibility, good cycle stability with a low fading rate of specific capacitance even after 500 cycles, which is promising for energy storage applications.     

Synthesis,characterization, and biological activity of some aza‐uracil derivatives

Thiation of 1 by LR gave the corresponding 3,5‐dithioxo derivative 2 and the trimer 3 . Methylation of 1 afforded the S‐methyl derivative 4 . Compound 1 was fused with 6‐bromo‐2‐phenyl‐benzo[1,3‐d]oxazin‐4‐one ( 5 ) and gave 6 . Condensation of 1 with some acid derivatives 7a , 7b , 7c , 7d and/or 8a , 8b , 8c yielded thiadiazolo‐triazine derivatives 9a , 9b , 9c , 9d and 10a , 10b , 10c . Compounds 9a , 9c and 10c were hydrolyzed to furnish 11a , 11b , 11c Acetylation of 14 afforded mono‐ and diacetyl‐derivatives 15 and 16 . Benzoylation of 14 afforded mono‐ and dibezoyl‐derivatives 17 and 18 . 14 with some aromatic aldehydes yielded 9a , 9b , 9c . Reacting 14 with phenyl (iso‐ and/or isothio‐) cyanate gave the urea derivatives 20a , 20b . Thiation of 14 with P₄S₁₀ furnished 21 . The newly synthesized compounds were tested as antimicrobial agents. J. Heterocyclic Chem., (2011)     

Sinc-Galerkin method for solving linear sixth-order boundary-value problems

There are few techniques available to numerically solve sixth-order boundary-value problems with two-point boundary conditions. In this paper we show that the Sinc-Galerkin method is a very effective tool in numerically solving such problems. The method is then tested on examples with homogeneous and nonhomogeneous boundary conditions and a comparison with the modified decomposition method is made. It is shown that the Sinc-Galerkin method yields better results.

     

Syntheses,structure, and photoluminescence properties of the 1-dimensional chain compounds [(TPA)(2)Au][Au(CN)(2)] and (TPA)AuCl (TPA = 1,3,5-triaza-7-phosphaadamantane)

The structures and temperature-dependent photoluminescence properties of the one-dimensional compounds [(TPA)(2)Au][Au(CN)(2)], 1, and (TPA)AuCl, 2, are reported. An extended linear chain with weak Au.Au interactions along the c-axis is evident in the structure of 1, and a helical chain with a pitch of 3.271 A is seen for 2. The intrachain Au...Au separation is 3.457(1) and 3.396(2) A in 1 and 2, respectively. As a result of this weak Au...Au interaction, the physical properties of these compounds are anisotropic. Scanning electron microscopy (SEM) studies indicate that single crystals of both compounds are noninsulating. Single crystals of 1 do not luminesce visibly, but grinding the crystals finely initiates a strong green emission under UV irradiation at room temperature. Further interesting optical properties include the dependence of the emission profile of the powder on the exciting wavelength and luminescence thermochromism. When excited at wavelengths < 360 nm, the powder exhibits a blue emission at 425 nm while excitation with longer wavelengths leads to a green emission near 500 nm. While the green emission dominates at ambient temperature, cooling to cryogenic temperatures leads to the dominance of the blue emission. Fibers of 2 are luminescent at 78 K with an emission band centered at 580 nm. Compound 1 crystallizes in the orthorhombic space group Cccm (No. 66), with Z = 2, a = 6.011(1) A, b = 23.877(6) A, c = 6.914(1) A, V = 992.3(3) A(3), and R = 0.0337. Compound 2 crystallizes in the trigonal space group R3 (No. 148), with Z = 18, a = 22.587(2) A, b = 22.587(2) A, c = 9.814(2) A, V = 4336 A(3), and R = 0.0283.     

Kinetics and mechanism of oxidation of 4-oxoacids by N-bromosuccinimide in aqueous acetic acid medium

Kinetics and mechanism of oxidation of substituted and unsubstituted 4-oxoacids (S) by N-bromosuccinimide (NBS) in aqueous acetic acid medium have been studied potentiometrically. The reaction follows first-order kinetics, each in 4-oxoacids, NBS and H⁺. The effect of changes in the electronic nature of the substrate reveals that there is a development of positive charge in the transition state. Based on the kinetic results and the product analysis, a suitable mechanism has been proposed for the reaction of NBS with 4-oxoacids.     

UV protection filters by dielectric multilayer thin films on Glass BK-7 and Infrasil 301

The increasing use of Ultraviolet (UV) light in medicine, industrial environments, for cosmetic use, and even in consumer products necessitates that greater attention be paid to the potential hazards of this type of electromagnetic radiation. To avoid any adverse effects of exposure to this type of radiation, four suitable protection filters were produced to block three UV bands (UVA, UVB, and UVC). The design structure of the required dielectric multilayer filters was done by optical thin film technology using the absorbing property of UV radiation for the substrates and dielectric materials. The computer analyses of the multilayer filter formulas were prepared using Macleod Software for the production processes. The deposition technique was achieved on optical substrates (Glass BK-7 and Infrasil 301) by dielectric material combinations including Titanium dioxide (Ti₂O₃), Hafnium dioxide (HfO₂), and Lima (mixture of oxides SiO₂/Al₂O₃); deposition being achieved using an electron beam gun. The output results of the theoretical and experimental transmittance values for spectral band from 200 nm to 800 nm were discussed in four processes. To analyze the suitability for use in ‘real world’ applications, the test pieces were subjected to the durability tests (adhesion, abrasion resistance, and humidity) according to Military Standard MIL-C-675C and MIL-C-48497A.     

First principle calculation of the electronic and magnetic properties of Mn-doped 6H-SiC

The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using GGA formalism. Various configurations of Mn sites were considered. It was found that 6H-SiC doped with Mn atoms possess a moment for both types of substitution. The Mn atom at Si site possesses larger magnetic moment than Mn atom at C site. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined and the calculated densities of states (DOSs) are used to analyse the different value of the magnetic moments for different types of substitution. A model that explains the magnetic moment at Mn site is proposed.     

Polarographic behaviour and determination of paracetamol and salicylamide after treatment with nitrous acid

A polarographic procedure is described for the determination of paracetamol (acetaminophen) and salicylamide after treatment with nitrous acid. The different experimental parameters affecting the derivatization process and the polarographic analysis were studied. The derivatization products were found to be reduced at the dropping mercury electrode over the whole pH range in Britton-Robinson buffers. At pH 7.0, well defined diffusion-controlled cathodic waves were produced for both compounds. Plots of limiting current vs. concentration were linear over the ranges 0.05–0.75 and 0.25–1.5mM for paracetamol and salicylamide, respectively, in the d.c. mode, with minimum detectability of 2.5 × 10^–6 and 1.25 × 10^–5 M, respectively. The procedure was applied to the analysis of some pharmaceutical dosage forms and the results were in good agreement with those obtained by official and compendial methods.