Mechanism of the reaction of neutral and anionic N-nucleophiles with α-halocarbonyl compounds

N-Acylalkylation of neutral and anionic N-nucleophiles with α-halocarbonyl compounds was investigated by quantum chemical methods in terms of the density functional theory and by experimental methods for 2,3-dihydroimidazo[2,1-b]quinazolin-1(10)H-5-one, its N-anion, and simpler model structures. High reactivity of these reagents is determined primarily by stabilization of transition states (TS) by bridge bonds involving halogen or nitrogen atoms rather than by conjugation, as has been commonly accepted. Bridged TS are formed by both the substitution mechanism S _N 2 and the addition-elimination mechanism. α-Haloalkyl-substituted zwitterions, which are potential intermediates of stepwise N-acylalkylation of neutral N-nucleophiles, do not exist in the isolated state, but they are rather efficiently stabilized upon solvation. These zwitterions, as well as analogous O-anions generated from anionic N-nucleophiles, can serve as intermediates of N-acylalkylation, as was demonstrated by localization of the corresponding TS. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1150–1164, June, 2007.     

Electron paramagnetic resonance and optical absorption spectra of Cr ions in cadmium phosphate glass

EPR and optical absorption investigations of chromium doped cadmium phosphate glass are carried out. Crystal field, spin-Hamiltonian and bonding parameters are evaluated. From the results and analyses of the EPR and optical studies, the site symmetry of Cr³⁺ ion in the glass is ascribed to a distorted octahedron. The bonding parameters suggest the ionic nature of Cr³⁺ ion with the ligands.     

Nanometric Antimony Powder Synthesis by Activated Alkaline Hydride Reduction of Antimony Pentachloride

A novel chemical reduction method using an activated alkaline hydride (LiH or NaH-t-BuONa) in tetrahydrofuran solvent has been applied to antimony salt reduction. X-ray diffraction and transmission electron microscopy studies have been carried out to characterize the morphology and structure of the materials. Alkali hydride nature influence has been proved. In both cases the process allows to prepare antimony particles in nanometer range from few nanometers to about 20nm which could be used as anodic materials for lithium–ion batteries. With lithium hydride well-crystallized particles inclined to agglomeration were observed whereas finely dispersed amorphous particles were pointing out after activated sodium hydride reduction.     

Diffuse x-ray scattering study of the formation of microdefects in heat-treated dislocation-free large-diameter silicon wafers

Diffuse x-ray scattering (DXS) is used to study the formation of microdefects (MDs) in heat-treated dislocation-free large-diameter silicon wafers with vacancies. The DXS method is shown to be efficient for investigating MDs in silicon single crystals. Specific defects, such as impurity clouds, are found to form in the silicon wafers during low-temperature annealing at 450°C. These defects are oxygen-rich regions in the solid solution with diffuse coherent interfaces. In the following stages of decomposition of the supersaturated solid solution, oxide precipitates form inside these regions and the impurity clouds disappear. As a result of the decomposition of the supersaturated solid solution of oxygen, interstitial MDs form in the silicon wafers during multistep heat treatment. These MDs lie in the {110} planes and have nonspherical displacement fields. The volume density and size of MDs forming in the silicon wafers at various stages of the decomposition are determined.     

Spatial amplification of a laser wave and the transverse spread of electrons in an undulator with a noncollinear configuration

The spatial amplification of a wave in a magnetostatic undulator with noncollinear electron and laser beams is studied in the framework of the dispersion relation for single-frequency and collective regimes. The dependence of the gain on the electron beam width is estimated with regard to the spatial boundedness of the beams. The laser power threshold at which the selection with respect to the transverse velocity is possible is obtained for a free-electron laser without inversion.     

Electromagnetic properties of strange baryons in a relativistic quark model

We present some of our results for the electromagnetic properties of excited Σ hyperons, computed within the framework of the Bonn constituent-quark model, which is based on the Bethe-Salpeter approach. The seven parameters entering the model are fitted against the best-known baryon masses. Accordingly, the results for the form factors and helicity amplitudes are genuine predictions. We compare with the scarce experimental data available and discuss the processes in which Σ ^*'s may play an important role.     

Front roughening in three-dimensional imbibition

We investigate the structure and dynamics of the interface between two immiscible liquids in a three-dimensional disordered porous medium. We apply a phase-field model that includes explicitly disorder and discuss both spontaneous and forced imbibition. The structure of the interface is dominated by a length scale ξ_× which arises from liquid conservation. We further show that disorder in the capillary and permeability act on different length scales and give rise to different scalings and structures of the interface properties. We conclude with a range of applications.     

Charged axially symmetric solution and energy in teleparallel theory equivalent to general relativity

An exact charged solution with axial symmetry is obtained in the teleparallel equivalent of general relativity. The associated metric has the structure function G(ξ)=1-ξ²-2mAξ³-q²A²ξ⁴. The fourth order nature of the structure function can make calculations cumbersome. Using a coordinate transformation we get a tetrad whose metric has the structure function in a factorizable form (1-ξ²)(1+r₊Aξ)(1+r_-Aξ) with r_± as the horizons of Reissner–Nordström space-time. This new form has the advantage that its roots are now trivial to write down. Then, we study the singularities of this space-time. Using another coordinate transformation, we obtain a tetrad field. Its associated metric yields the Reissner–Nordström black hole. In calculating the energy content of this tetrad field using the gravitational energy-momentum, we find that the resulting form depends on the radial coordinate! Using the regularized expression of the gravitational energy-momentum in the teleparallel equivalent of general relativity we get a consistent value for the energy.