Synthesis of α-monoglycerides of aromatic acids

The synthesis of -monoglycerides of aromatic acids has been performed by the transesterification of the methyl esters of the corresponding acids with glycerol. The structures of the compounds obtained have been confirmed by their IR, UV, and¹H and¹³C NMR spectra.A. B. Bekturov Institute of Chemical Sciences, Academy of Sciences of the Republic of Kazakhstan, Almaty, fax (3272) 61 57 65. Translated from Khimiya Prirodnykh Soedineii, No. 4, pp. 452–457, July–August, 1999.     

Quantum control of molecular motion including electronic polarization effects with a two-stage toolkit

A method for incorporating strong electric field polarization effects into optimal control calculations is presented. A Born-Oppenheimer-type separation, referred to as the electric-nuclear Born-Oppenheimer (ENBO) approximation, is introduced in which variations of both the nuclear geometry and the external electric field are assumed to be slow compared with the speed at which the electronic degrees of freedom respond to these changes. This assumption permits the generation of a potential energy surface that depends not only on the relative geometry of the nuclei but also on the electric field strength and on the orientation of the molecule with respect to the electric field. The range of validity of the ENBO approximation is discussed in the paper. A two-stage toolkit implementation is presented to incorporate the polarization effects and reduce the cost of the optimal control dynamics calculations. As an illustration of the method, it is applied to optimal control of vibrational excitation in a hydrogen molecule aligned along the field direction. Ab initio configuration interaction calculations with a large orbital basis set are used to compute the H-H interaction potential in the presence of the electric field. The significant computational cost reduction afforded by the toolkit implementation is demonstrated.     

Features of Propene Oxidation in Argon,Carbon Dioxide and Water Vapor Media at a High Density of Reagents

The features of propene oxidation in high-density mixtures of C₃H₆/O₂ ([C₃H₆]₀ = 0.23–0.25 mol/dm³, [O₂]₀ = 0.76–0.82 mol/dm³), diluted with argon, carbon dioxide and water vapor at uniform heating (1 K/min) to T ≤ 620 K are investigated for the first time. From the time dependences of reaction mixtures temperature it is found that propene self-ignition occurs at 465 K and does not depend on the nature of the diluent. Using mass spectrometry analysis it is demonstrated that in the composition of the products of propene oxidation in the Ar and CO₂ medium predominate methanol, acetaldehyde, acetone, acetic acid and formaldehyde; in the oxidation in the H₂O medium, only small amof O₂ in the oxidation of propene increases in ounts of these substances were registered. Degree of consumption the following order: CO₂ ? Ar < H₂O, which is a consequence of the involvement of CO₂ and H₂O molecules in chemical transformations. Mechanisms of the observed processes are discussed.     

The effect of multiple electron-electron scattering on the energy distribution of electrons in a correlated pair

A unit event of electron-electron scattering in LiF layers is studied by correlation spectroscopy of scattered electrons. The energy distribution of electrons in a correlated pair when a 15-to 55-eV free electron is scattered by a valence electron of LiF is studied. It is shown that single electron-electron scattering prevails and the distribution is uniform when the energy of the primary electron is below 25 eV. As the energy of the primary electron increases, the formation of correlated pairs of electrons with equal energies becomes the most probable. With the energy of the primary electron above 40 eV, the pairs with substantially different electron energies dominate. Such evolution of the energy distribution of the electrons in the pair stems from the fact that first one and then the other electron of the pair successively takes part in electron-electron scattering. A phenomenological model for the single scattering and double scattering of primary electrons in LiF films is considered. Results obtained indicate that the strengths of single scattering and double scattering channels become comparable at electron energies above 25 eV.     

An application of the electron mirror in the time-of-flight spectrometer

We suggest applying of the spherical electron mirror in the time-of-flight electron spectrometer with a position sensitive detector in order to increase the effective acceptance solid angle of the spectrometer. The spherical electron mirror is placed near the specimen and it focuses electrons on a position sensitive detector as a converging electron flux. The electron mirror increases the acceptance angle of the spectrometer by a factor of 20. The electron mirror of the spectrometer consists of an inner spherical electrode of the radius R and an outer spherical electrode of the radius 1.1R. The central segment of the inner electrode inside the linear angle of 80° is made of a grid. The detector plate radius is about 0.23R. The acceptance solid angle of the spectrometer with this electron mirror is about 1.1sr, the range of the polar angle of emission is 20°–90° relative to the surface normal, and the range of the azimuth angle of emission at its maximum is ±36° relative to the basic plane of the spectrometer. The design of the spectrometer allows to recover the electron trajectory for each detected electron and to calculate the energy and the emission angle of the electron. The energy resolution of the spectrometer is about 0.2 eV/ns for the electron energy of 10 eV. The energy range is from E_min0.1eU_r up to eU_r, where U_r is the retarding potential of the electron mirror. The perturbing influence of the grid of the electron mirror limits mainly the angular resolution of the spectrometer and affects relatively slightly the energy resolution. The electron spectrometer with two detectors and two electron mirrors symmetric about the spectrometer axis allows to measure electron pairs in coincidence in a wide range of emission angles and energies with k-resolutions.     

Theory of high-T c superconductivity based on the fermion-condensation quantum phase transition

A theory of high-temperature superconductivity based on the combination of the fermion-condensation quantum phase transition and the conventional theory of superconductivity is presented. This theory describes maximum values of the superconducting gap, which can be as big as Δ₁～0.1ε _F , with ε _F being the Fermi level. We show that the critical temperature 2T _c ?Δ₁. If the pseudogap exists above T _c , then 2T*?Δ₁ and T* is the temperature at which the pseudogap vanishes. A discontinuity in the specific heat at T _c is calculated. The transition from conventional superconductors to high-T _c ones as a function of the doping level is investigated. The single-particle excitations and their lineshape are also considered     

Functional approach to a Gelfand–Tsetlin-type basis for $$mathfrak{o}_5$$

Theoretical and Mathematical Physics - We consider a realization of representations of the Lie algebra $$mathfrak{o}_5$$ in the space of functions on the group $$Spin_5simeq Sp_4$$ . In the...     

Construction of generator polynomials for residue codes of degrees 5–8

A generalization of quadratic residue codes to the case of higher degree is considered. Properties of h-power residue codes are studied. In some cases, it is possible to indicate the form and method of construction of a generator polynomial. Using the results obtained here, generator polynomials for residue codes of degrees 5–8 are constructed.     

Technique for Determining the Fracture Relief Periodicity in Fractured Materials

Crystallography Reports - A technique for determining the relief periodicity, in particular, the pitch of fatigue striations formed during fatigue fracture of metals, is proposed. The determination...