Effects of external electric and magnetic fields on the linear and nonlinear intersubband optical properties of finite semi-parabolic quantum dots

In this work, influences of external electric and magnetic fields on the optical rectification coefficient, the linear and the third-order nonlinear optical absorption coefficients as well as refractive index changes of finite semi-parabolic quantum dots are investigated. In this regard, energy eigenvalues and eigenfunctions of the system are calculated numerically, and optical properties are obtained using the compact density matrix approach. The results show that external electric and magnetic fields have a great influence on these optical quantities.     

Simultaneous effects of spin-orbit interaction and external electric field on the linear and nonlinear optical properties of a cubic quantum dot

In this article simultaneous effects of external electric field and spin-orbit interaction on the linear and the nonlinear optical properties of a cubic quantum dot are studied. Based on the non- degenerate perturbation method, energy eigenvalues and eigenfunctions of the system under the influence of spin-orbit interaction are calculated. Furthermore, the linear and the nonlinear optical absorption coefficients and refractive index changes are obtained using the compact density matrix approach and iterative method. Our results show that, due to the spin-orbit interaction, resonant peak values of the optical absorption coefficients and refractive index changes decrease and occur at lower values of the incident photon energy. The variation of these optical parameters depend on the spin-orbit interaction strength, dot dimensions and external electric field.     

Implementing and using high-order finite element methods

We present theoretical analyses of and detailed timings for two programs which use high-order finite element methods to solve the Navier- Strokes equations in two and three dimensions. The analyses show that algorithms popular in low-order finite element implementations are not always appropriate for high-order methods. The timings show that with the proper algorithms high-order finite element methods are viable for solving the Navier-Stokes equations. We show that it is more efficient, both in time and storage, not to precompute element matrices as the degree of approximating functions increases. We also study the cost of assembling the stiffness matrix versus directly evaluating bilinear forms in two and three dimensions. We show that it is more efficient not to assemble the full stiffness matrix for high-order methods in some cases. We consider the computational issues with regard to both Euclidean and isoparametric elements. We show that isoparametric elements may be used with higher-order elements without increasing the order of computational complexity.     

Highly Stereoselective Intermolecular Haloetherification and Haloesterification of Allyl Amides

An organocatalytic and highly regio‐, diastereo‐, and enantioselective intermolecular haloetherification and haloesterification reaction of allyl amides is reported. A variety of alkene substituents and substitution patterns are compatible with this chemistry. Notably, electronically unbiased alkene substrates exhibit exquisite regio‐ and diastereoselectivity for the title transformation. We also demonstrate that the same catalytic system can be used in both chlorination and bromination reactions of allyl amides with a variety of nucleophiles with little or no modification.     

Nanostructured polypyrrole for automated and electrochemically controlled in-tube solid-phase microextraction of cationic nitrogen compounds

The authors describe an efficient method for microextraction and preconcentration of trace quantities of cationic nitrogen compounds, specifically of anilines. It relies on a combination of electrochemically controlled solid-phase microextraction and on-line in-tube solid-phase microextraction (SPME) using polypyrrole-coated capillaries. Nanostructured polypyrrole was electrically deposited on the inner surface of a stainless steel tube and used as the extraction phase. It also acts as a polypyrrole electrode that was used as a cation exchanger, and a platinum electrode that was used as the anode. The solution to be extracted is passed over the inner surface of the polypyrrole electrode, upon which cations are extracted by applying a negative potential under flow conditions. This method represents an ideal technique for SPME of protonated anilines because it is fast, easily automated, solvent-free, and inexpensive. Under optimal conditions, the limits of detection are in the 0.10–0.30 μg L‾¹ range. The method works in the 0.10 to 300 μg L‾¹ concentration range. The inter- and intra-assay precisions (RSD%; for n = 3) range from 5.1 to 7.5 % and from 4.7 to 6.0 % at the concentration levels of 2, 10 and 20 μg L‾¹, respectively. The EC-in-tube SPME method was successfully applied to the analysis of methyl-, 4-chloro-, 3-chloro and 3,4-dichloroanilines in (spiked) water samples.

ᅟ

     

A green one-pot three-component synthesis of α-aminophosphonates under solvent-free conditions and ultrasonic irradiation using Fe3O4@SiO2-imid-PMAn as magnetic catalyst

An efficient and environment friendly process for the synthesis of α-aminophosphonates has been devised. Through a one-pot three-component condensation of various aldehydes, amines, and triethyl phosphite in the presence of Fe₃O₄@SiO₂-imid-PMAⁿ nanoparticles as magnetic catalysts under solvent-free conditions and ultrasonic irradiation, α-aminophosphonates were obtained with excellent yields. The reactions under solvent-free conditions at room temperature are compared with the ultrasonic-assisted reactions. This new procedure has notable advantages such as short reaction time, excellent yields, easy purification, and the absence of any tedious workup or purification. The aforementioned catalyst could be easily recovered by an external magnetic field and can be reused for six consecutive reaction cycles without significant loss of activity. In addition, SEM and DLS of the catalyst after the reaction cycle were investigated.     

Cyclopropanation and epoxidation of 2-ylidene derivatives of lupane series

Russian Journal of Organic Chemistry - Crotone condensation of allobetulone with fluorine-containing benzaldehydes afforded new α,β-unsaturated ketones of lupane series. Their...     

Synthesis of new dyes containing double tetrazole groups for sensitization of TiO<Subscript>2</Subscript> nanoparticles in dye-sensitized solar cells

Di(1H-tetrazol-5-yl)methane is employed as a new electron acceptor group in the synthesis of two metal-free organic dyes containing triphenylamine donor group. Dye-sensitized nanocrystalline TiO₂ solar cell (DSSC) applying these novel dyes is constructed for consideration of their photovoltaic properties. The electronic properties of the dyes are also considered with the aid of theoretical calculations. The DSSC constructed from 4-(2,2-di(1H-tetrazol-5-yl)vinyl)-N,N-diphenylaniline (T1) shows a short-circuit photocurrent density of 13.38 mA cm^?2, an open circuit voltage of 578 mV, and a fill factor of 0.54, with a resulted solar energy-to-electricity conversion efficiency of 4.18% under simulated 1 sun irradiation (100 mW cm^?2). This result reveals that the dye with the di(1H-tetrazol-5-yl)methane anchoring group injects more electrons to the conduction band of TiO₂ in comparison with its analogs with single tetrazole ring in their anchoring group. It is found that in spite of a red-shift of the absorption spectrum resulted from the lengthening of the molecule, the dye with two di(1H-tetrazol-5-yl)methane groups gives lower performance than the dye with a single electron acceptor.     

Synthesis and spectral characterization of mercury(II) complexes with the bidentate Schiff base ligand N,N′-bis(2,3-dimethoxybenzylidene)-1,2-diaminoethane: The crystal structures of [Hg((23-MeO-ba)2en)I2] and [Hg((23-MeO-ba)2en)Br2]

Three mercury(II) complexes, [Hg((23-MeO-ba)₂en)X₂] (X = I (1), Br (2) and Cl(3)), and the ligand (23-MeO-ba)₂en ((23-MeO-ba)₂en = N,N′-bis(2,3-dimethoxybenzylidene)-1,2-diaminoethane) have been synthesized and characterized by elemental analyses, FT-IR and ¹H NMR spectroscopy. The crystal and molecular structures of 1 and 2 were determined by X-ray crystallography from single-crystal data. The metal-to-ligand ratio was found to be 1:1. The mercury(II) center in 1 and 2 has a distorted tetrahedral geometry with HgN₂I₂ and HgN₂Br₂ chromophores, respectively. The Schiff base ligand (23-MeO-ba)₂en acts as a chelating ligand, coordinating via the two nitrogen atoms to the mercury(II) center, and it adopts an E,E conformation. The coordination sphere of the mercury(II) center in 1 and 2 is completed by the two I and Br atoms, respectively. In complex 1 an inter-molecular non-classical hydrogen bond of the type C-H?O was found, while in complex 2 inter- and intra-molecular non-classical hydrogen bonds of the type C-H?X (X = O and Br) were found. The ¹H NMR spectra of the complexes exhibit downfield as well as upfield shifts of the free ligand resonances, reflecting changes in the ligand’s geometry during its coordination.