Home – Home – Jornals – 2012 number 1

The legal possibilities of rendering paid services to the public libraries users are discussed in the article. At the present time we can notice a gap between the processes, objectively taking place in the library sphere, and legal confirmation of using documents by the public libraries. The article is devoted to bridging the gap with the legal means by changing the current legislation, with the aim of bringing the law to conformity with the needs of libraries and users.

The paper discusses legal education and legal upbringing as the components and factors of the formation of legal culture of the person and society. From the viewpoint of the authors, the legal democratic state, called to observe and protect the rights and freedoms of the person, is capable to take roots only in the society based on solidarity, high moral principles, high legal culture and civil activity.

The paper presents a conception of sophisticated and controversial mutual connection between freedom and impersonal objective aspects of social life which are collectively called a social system. The presented in the paper interpretation of freedom is based on a subject-object theoretical scheme. Mutual connection of the person and the social system is realized within the framework of a subject-object paradigm. The interrelation of the person and the system is considered from the position of unity of the subject and object beginnings. Freedom is investigated in its «out-of-system» and «system» qualities.

In the article, social-philosophical substantiation is presented of the presence of an axiological basis in the state, which determines the general social structure and dynamics of the state life. There are revealed the ways of interaction between the axiological basis of the state and the sphere of education, there are indicated the positive sides of the influence of the basis on the superstructure, there are shown the reasons of the negative processes in education in connection with the change of the axiological basis of the state at the turn of the XXI century, there are proposed some ways of optimization of social relations in the sphere of education.

On the basis of analyzing psychological and pedagogical literature, there are revealed in the article the theoretical foundations of realization of an axiological approach in the process of moral upbringing of the person. The authors present an analysis of the problem of formation of moral values of the person in the education system from the positions of axiological approach; аn attempt is undertaken to investigate the mechanisms influencing the formation of the value structure of the person and regulating his/her behavior in the society. The authors consider the problem of values formation of young people in the system of education. The authors analyze a number of scientific sources to identify the relevance of this topic in the philosophy of education

The article deals with the status of national character and its place in the modern space of understanding. The national character is a driving force in transferring social practices and fostering communication actions both within the culture and at the level of intercultural dialogue, because, intersecting with the spheres of culture and society, the national character realizes the function of a mediator between the subjects of cultural dialogue. The author claims the need to study the problem of understanding as a crucial condition and the goal of the communication processes, because in practice the conditions of mutual understanding being unrevealed gives rise to the phenomenon of the mass manipulation of consciousness.

The article provides theoretical substantiation of organizing a special department, Scientific School of the Student-Researcher, in the higher education institution as a variative project to develop the students' axiological and meaning-related position and analyzes the experience of the creating and functioning of such school in the Arkhangelsk State Technical University.

The article addressed a systemic set of problems, revealing the ways of project creation of a new school on the basis of aestheticization of educational process as a formative space.

In the article there is considered the modern concept of regionalization of education in the conditions of globalization. The factors of instability of the development of regional education (the Siberian region) are analyzed. There are presented 9 anti-crisis measures, necessary for our domestic educational policy, which have been formulated by O. N. Smolin.

Modern society is saturated with information and communication technologies. These technologies play an increasing role in shaping the individual identity, especially the identity of the young generation representatives. First of all, this refers to the development of thinking skills and strategizing the social behavior: these are the key personal characteristics determining individual's life. In the work there are analyzed positive influences of information and communication technologies on growing generation, particularly, such aspects of this influence as interest to learning, development of analytical and critical thinking, sociability, tolerance and commitment to achieving personal goals.

In the paper there are revealed the essence of various communicative strategies in education and principles of communicative strategies; there is described the influence of the choice of communication strategies on the development of personal meanings, innovative processes; the purpose of communicative actions of the teacher is elaborated.

Sustainable development of the society requires education of the person who is highly moral, free, responsible and able to transform the world taking into account universal values. In the article the essence is revealed of the concepts of competence, the key competence. On the basis of the ideas of existentialism, the positions of the concept of managing the open organizational systems and universal systemic regularities, the author substantiates that communication and cooperation should be considered as the key competencies of the subject in the information society.

The paper analyses the necessity of forming self-determination potential as a component and leading factor of self-making of the innovation potential of students of engineering. The value orientations, personal values are the main resources of self-determination potential as a component of innovation potential.

Comparative analysis of lithium deposits and ore manifestations of spodumene pegmatites of Siberia was carried out for the purpose of their development and substantiation of the investment attractivity for nuclear, electrochemical industry and defense technologies. The characteristics of the geological structure of ore fields of spodumene pegmatites are presented, along with the mineralogical and geochemical characterization of lithium-bearing complexes contained therein. The richest in lithium spodumene ore species are those from the deposits of the Eastern Sayan, Tuva and Eastern Transbaikalia. Comparable concentrations of lithium oxide are present in the ore from the Tashelga deposit in the Shoria Highlands. The ore from the Alakha stockwork situated in the south of the Altai Highlands has the lowest lithium oxide content; however, due to the uniformity of its distribution and substantial scale of mineralization, large-scale resources are concentrated there. After ore concentrating, the concentrate consists mainly of spodumene. Iron should be mentioned as one of the most abundant admixtures. The level of concentrate enrichment with lithium oxide is determined by its concentration in spodumene. In this respect, among the studied deposits the most promising ones appear to be the pegmatites of the Eastern Sayan (Goltsovoye deposit). We emphasize that there is a necessity to perform additional geological prospecting, chemical engineering and inspection examinations for the purpose of allocating the sites with the richest lithium ore species within the Zavitino deposit (Transbaikalia), as well as at the Goltsovoye, Belorechensk and Urik deposits (Eastern Sayan), Tastyg deposit (Tuva) and promising ore manifestations Tashelga (Mountain Shoria) and Alakha (Altai Highlands).<br>It is concluded that the spodumene pegamitites of Siberia are able to become the necessary and sufficient mineral raw material basis for the development of lithium industry in Siberia.

New data on the spreading and geochemical features of lithium-bearing underground waters in the Irkutsk Region and Western Yakutia are presented. A taxonomic partitioning of the hydrogeological section of the Siberian Platform was carried out, and promising salt-bearing zones were allocated.

Small lakes of Transbaikalia and Northeastern Mongolia united in five systems – Barguzin, Eravnoye-Gusinoozersk, Ingoda, Onon-Borzya and Eastern Mongolian – are characterized. Within the boundaries of the systems, the lakes are assorted in compact groups characterized by common chemical composition and type of geochemical evolution. Ground and surface waters feeding the lakes are characterized. On the basis of the examination of the microelement composition of lake sources (about 200 lakes) and ground waters (more than 100 sources, wells and holes), the elements concentrating during evaporation of lake waters were distinguished. The outlooks of the use of small lakes as a kind of liquid ore for the industrial extraction of some metals (Li, U, REE etc.) are considered.

Data obtained in the investigation of the microcomponential (Li, U etc.) and macrocomponential (Na, Ca, K, Mg, Cl, SO₄, CO₃, HCO₃) composition of water in salt lakes of Western Mongolia are generalized. It is revealed that the majority of salt lakes in this region are characterized by an increased concentration of a number of micro components (lithium, uranium etc.). It is demonstrated that lithium is concentrated in chloride lakes, whereas uranium does in sodium ones. Calculations of equilibria in lake water with the basic minerals of water-enclosing rocks are presented.

Economic efficiency was investigated for the integrated use of lithium-bearing raw material. The versions of industrial arrangement are considered for two kinds of raw material such as hydromineral and mining one, differing in logistics and completeness. It is demonstrated that the use of hydromineral raw material allows substantially decreasing the risks connected with the reduction in demand for auxiliary products; as well as allows one enhancing the competitiveness of production at the expense of cost saving for separate products in the course of the integrated extraction of useful components of brines in a united industrial cycle.

Isotopic exchange between the aqueous solution of lithium chloride containing ⁶Li isotope and the chloride form of double aluminium and lithium hydroxide synthesized from different aluminium hydroxide species was studied. It was demonstrated that the dependence of the level of isotopic exchange F(t) on time at the initial regions (the exchange level being less than 40 %) for the samples of double hydroxide obtained from crystalline gibbsite can be described by a diffusion equation: F(t) = (4/r₀π^1/2)D^1/2t^1/2. The diffusion coefficients of lithium are comparable with the coefficients of self-diffusion of singly charged alkaline ions in skeletal aluminosilicate such as mordenite. The exchange level for the samples of double hydroxide obtained from mechanically activated aluminium hydroxide under comparable experimental conditions is an order of magnitude greater than the exchange level for the samples synthesized from gibbsite. This is likely to be connected with a higher dispersion level of double hydroxide synthesized from mechanically activated aluminium hydroxide.

An influence of the conditions of the mechanical activation of aluminium hydroxide and lithium carbonate mixture in the planetary type activator APF and of the conditions of subsequent thermal treatment upon the phase composition, morphology and dispersity level of lithium gamma-monoaluminate (γ-LiAlO₂) is considered. Potentialities are demonstrated concerning the use of the γ-LiAlO₂ synthesized for obtaining the matrix electrolyte for a fuel element with molten carbonate electrolyte as well as within a separator for thermal lithium batteries.

A brief overview of works aimed at the investigation of the processes of synthesis of nanosized LiFePO₄ from different precursors using mechanical activation is presented; its structural and electrochemical properties are evaluated. The effect of nanosize on cycling processes including its mechanism is demonstrated. Examples of the influence of carbon component on the morphology of particles and the effect of substitution processes on the cathode properties of LiFePO₄ are described, as well as the data on the thermal stability of LiFePO4 against heating in the air. The proposed method was accepted as the basis for the industrial technology of obtaining LiFePO₄ at the JSC “Novosibirsk Chemical Concentrates Plant”.

A review of works aimed at the development of solid electrochemical devices based on lithium systems is presented. The criteria for the choice of solid electrolyte are described, a brief review of the properties of known solid electrolytes under in solid lithium batteries and rechargeable batteries are described. Special attention is paid to the properties of composite solid electrolytes. Examples of known solid primary and secondary lithium current sources differing in design and type of solid electrolyte are presented. It is shown that the composite solid electrolytes (ceramic, polymer ceramic and glass ceramic) are most suitable for use in solid lithium rechargeable batteries. A brief review of the works aimed at the development of solid supercapacitors is given. The data on solid supercapacitors with solid electrolyte based on lithium perchlorate and carbon electrode materials are presented.

Methods of obtaining carbon sorbents modified with the compounds of antimony (V) were developed for the extraction of sodium and calcium admixtures from the solution of lithium chloride. The sorption capacity of the obtained modified carbon materials under static and dynamic conditions was estimated. It was shown that the most efficient sorbent NUMS-K-1 was obtained by the saturation with SbCl₅ followed by its hydrolysis. With antimony content in the carbon sorbent up to 8 %, total dynamic capacity with respect to sodium is 2.2, with respect to calcium 4 mg/g. In the course of dynamic experiments, it was established that the residual concentration of sodium at the outlet of the sorption column reaches 0.25, calcium 2 mg/L. The obtained results meet the requirements to the purity of lithium products. The promising character of the use of carbon sorbents modified with antimony (V) compounds in the processes of lithium chloride purification from sodium and calcium admixtures was demonstrated.

The composition of kiln gas from the synthesis of lithium iron phosphate (LiFePO₄) is considered. The catalytic oxidation of the mixture of ammonia vapour and carbon monoxide is studied. The apparatus and technological scheme of purification of kiln gas of the synthesis of lithium iron phosphate is proposed.

Data on mercury concentration in various environmental components of Siberia are presented: for bottom sediments of continental lakes and in the soil of their water-collecting areas, in plants (moss, lichens, medicinal herbs, berries, mushrooms, needles) and in the litter of conifers. An increase in mercury content in the upper horizons of averaged sections of bottom sediments starting from the depth of about 15 cm was detected, which corresponds to the years 1960–1970. The dependence of mercury content on the degree of water mineralization and its mineral composition was not revealed. It was established that the concentrations of mercury in bottom sediments are determined by its concentration in the soil of water-collecting areas. The obtained results generally provide evidence of the favourable ecological status of the studied territories, while pollution with mercury has a local character. Coniferous litter, lichens and mushrooms can be used as indicators of pollution with mercury.

Demercurization of solid mercury-containing wastes with the help of oxidizing agents and mercury-removing solution of calcium polysulphide were studied. The major regularities of mercury removal from luminophore (luminescent and compact lamps), granosan and soil were studied. It was shown that this method of mercury removal allows obtaining low-toxic wastes of the 4th class of danger.

A DFT/B3LYP method using the 6-311++G(3df) basis set is employed to calculate the geometric, electronic, and thermodynamic parameters of O=NO-ON=O peroxide as an isomer of N₂O₄ dinitrogen tetraoxide. Calculations of the configuration interaction in a system of three paramagnetic particles with open shells have shown for the first time that the formation of cis-cis peroxide in the oxidation reaction of nitrogen oxide 2NO (²∏) + O₂ (³∑_g) → O=NO-ON=O (¹A) proceeds without an energy barrier in accordance with recently performed studies. The molecular orbital scheme of the barrierless activation of molecular oxygen and the driving force of the NO oxidation reaction are considered. A spontaneous character of the process is based on the idea of spin-catalysis when the reaction proceeds in the two-triplet state with total zero spin. The obtained results are in agreement with the experimental data on a spontaneous and irreversible process characterized by the observed negative activation energy.

DFT, SA-MCSCF, and MRMP/MCQDPT2 methods in the 6-311++G(2d) basis set are employed to consider the features of the formation reaction of key intermediates (SeOO, Se(O₂)) and photochemical dissociation of selenium dioxide with the formation of singlet oxygen. The cross-sections of potential energy surfaces of SeO₂, Se(O₂), and SeOO are constructed and the terms of their ground and excited states are analyzed at the SeOO dissociation limit with regard to spin-orbital interaction. Possible formation channels of ¹О₂ (¹Δ_g, reactive oxygen species during the decay of the excited states of selenium oxocomplexes are revealed. The effect of the spin-orbit interaction on the character of electronic spectrum transitions and zero field splitting in oxygen is estimated.

Equilibrium geometric parameters, normal mode frequencies and intensities in IR spectra, atomization enthalpy, and relative energies of low-lying electronic states of scandium fluoride molecules (ScF, ScF₂, and ScF₃) are calculated by the coupled-cluster method (CCSD(T)) in triple-, quadruple, and quintuple-zeta basis sets with the subsequent extrapolation of the calculation results to the complete basis set limit. The ScF molecule is also studied by the CCSDT technique. The error in the approximate calculation of triple excitations in the CCSD(T) method does not exceed 0.002 Å for the equilibrium internuclear distance R_e, 4 cm^-1 for the vibrational frequency, and 0.2 kcal/mol for the dissociation energy of the molecule. In the ground electronic state ²A₁(C_2v) of ScF₂ molecules, R_e(Sc-F) = 1.827 Å and α_e(F-Sc-F) = 124.2°; the energy barrier to bending (linearization) h = E_min(D_∞h) - E_min(C_2v) = 1652 cm^-1. The relative energies of ²Δ_g and ²Π_g electronic states are 3522 cm^-1 and 14633 cm^-1 respectively. The bond distance in the ScF₃ molecule (, D_3h) is refined: R_e(Sc-F) = 1.842 Å. The atomization enthalpies Δ_at of ScF_k molecules are 139.9 kcal/mol, 289.0 kcal/mol, and 444.8 kcal/mol for k = 1, 2, 3 respectively.

The effect of sublattices on the electronic structure of Zn₂SiO₄ crystals is ab initio studied from the first principles calculations at the density functional theory level. Based on the analysis of band spectra and sublattices the different role of Zn and Si cations in the formation of the valence band structure is determined, which is due to the crystal structure and atomic interactions in SiO₄ and ZnO₄ cationic tetrahedra.

Density functional calculations are performed to study the structures and electronic properties of Al_nCo_m clusters with n = 1-7 and m = 1, 2. Frequency analysis is also performed after structural optimization to make sure that the calculated ground states are real minima. The corresponding total and binding energies, adiabatic electron affinities and ionization potentials are presented and discussed to aid the identification of our calculations. The BSSE correction is also considered in our calculation. Among Al_nCo_m, Al_nCo, and Al_nCo clusters (n = 1-7 and m = 1-2), Al₄Co^-, Al₆Co^-, Al₂Co₂, and Al₆Co₂ are predicted to be more stable. Our results are consistent with the available experimental data.

The structure and thermodynamics of the following phosphorus oxide caged clusters were calculated in the gas phase at STP via both the local density approximation (LDA) and a generalized gradient approximation (BLYP) of density functional theory: the experimentally characterized trioxide (P₄O₆) and pentoxide (P₄O₁₀), and in order of thermodynamic preference, the hypothetical P₂₄O₆₀, P₈O₂₀, P₂₄O₄₈, and P₂₀O₂₀. All of the hypothetical oxides would dissociate to the pentoxide at equilibrium. Secondarily, the LDA calculation of the enthalpy of formation was unexpectedly superior to the BLYP calculation.

A theoretical study of the structure and vibrational spectrum of methyl-β-D-glucopyranoside is performed with allowance for the hydrogen bond effect on them. At the density functional theory level with the use of the B3LYP functional in the 6-31G(d) basis set the structural dynamic models of a free molecule of methyl-β-D-glucopyranoside and its simplest complexes with hydrogen bonding in the form of dimers with different structures are constructed. Energies are minimized; structures, electro optical parameters, force constants, and normal vibrational frequencies in the harmonic approximation and their intensities in IR spectra are calculated; the hydrogen bond energy is estimated. Based on the calculation, the conclusions are drawn about the structure of the methyl-β-D-glucopyranoside sample, the formation and interpretation of its IR spectrum, and the possibilities of the used density functional theory method.

The structure of the synthesized title compound is characterized by IR, UV-Visible spectroscopy, and single-crystal X-ray diffraction (XRD). The new compound (C₁₈H₂₃NS) crystalizes in the monoclinic P2₁/c space group. In addition to the crystal structure from the X-ray experiment, the molecular geometry, vibrational frequencies, atomic charge distribution, and frontier molecular orbital (FMO) analysis of the title compound in the ground state are calculated by density functional teory (B3LYP) with 6-311G(d,p) and 6-31G(d,p) basis sets. The results of the optimized molecular structure are presented and compared with the experimental values. The computed vibrational frequencies are used to determine the types of molecular motions associated with each of the observed experimental bands. To determine the conformational flexibility, the molecular energy profile of (1) is obtained by semi-empirical (AM1) and (PM3) calculations with respect to a selected degree of torsional freedom. Moreover, molecular electrostatic potential (MEP) and thermodynamic parameters of the title compound were calculated by the theoretical methods.

The crystal structure, luminescence properties of 2,2-difluoro-4,6-(4-methylphenyl)-1,3,2-dioxaborine (СH₃C₆H₄COCHCOC₆H₄CH₃BF₂) crystals and solutions at different concentrations are examined at T 296 K and 156 K.

By the example of four even members in a homologous series of sodium n-alkyl sulfates (decyl-, dodecyl-, tetradecyl-, and hexadecyl sulfate) and with the use of the Debye-Hueckel theory of strong electrolytes the parameters are calculated that determine electrostatic interactions in micellar solutions of surfactants. Calculation results for the Gibbs electrostatic energy of micellization are compared to those obtained from one of the approximate solutions of the Poisson-Boltzmann equation and also to the results of its numerical integration for spherical micelles. Applicability conditions of the Debye-Hueckel theory are determined with respect to the micelle concentration and size and the number of carbon atoms in a surfactant molecule. It is shown that the Debye-Hueckel theory in the proposed version enables an efficient and quite accurate calculation of all electrostatic properties of micelles and ionic micellar solutions for surfactants with a number of carbon atoms in a molecule starting from 10 and more and at concentrations up to 0.15 mol/dm³.

A molecular dynamics method is used to simulate liquid mixtures of benzene and chlorobenzene at different concentrations. Radial angular distribution functions (RADFs) for distances between the benzene ring planes and the angle between them were calculated to analyze the structure of pure components and mixtures. In chlorobenzene, the highest RADF maximum at a distance between the mass centers of the benzene rings of about 4 Å corresponds to the stacked configurations of molecules, and at 5-7 Å the number of stacked contacts are much less than that at 4 Å and is comparable with the orthogonal ones.
In liquid benzene, the number of stacked and orthogonal configurations is approximately equal in a range from 4 Å to 7 Å. RADF for benzene reveals extended regions of correlation, which gives evidence of the occurrence of agglomerates bound by specific interactions between the benzene rings. These agglomerates are not characteristic of chlorobenzene, but the presence of maxima on the radial distribution function for the distances between chlorine atoms indicates chlorine aggregation. The effect of halogen aggregation on the structure of benzene-chlorobenzene mixtures is considered. The obtained results are compared with the data on molecular light scattering.

An analysis of the formation of solid solutions in MAO₄-(Me_0.5Ln_0.5)AO₄ systems, where Me = Li, Na, K; M = Ca, Sr, Ba, Pb, Cd; Ln = La-Gd, Y, Bi; A = Mo, W, is performed in the approximation of regular solutions. Equations that make it possible to determine the temperature of the transition of limited solid solutions to unlimited ones at heterovalent substitutions M²⁺ ↔are obtained.

Crystal structures are determined by X-ray crystallography for tetrafluoroantimonates(III) of single and double protonated 3-amino-1,2,4-triazolium cations of the composition (C₂H₅N₄)SbF₄ (I) (monoclinic: a = 4.7723(6) Å, b = 19.643(2) Å, c = 7.6974(9) Å, β = 97.239(2)°, Z = 4, Cc space group) and (C₂H₆N₄)(SbF₄)₂ (II) (monoclinic: a = 4.7617(3) Å, b = 15.512(1) Å, c = 7.4365(5) Å, β = 107.706(1)°, Z = 2, P2₁/n space group). The structure of I is built from complex [SbF₄]⁻ anions and single charged (C₂H₅N₄)⁺ cations; the structure of II is built from the same anion and double charged 3-amino-1,2,4-triazolium cation: (C₂H₆N₄)²⁺. In the structure, weak interactions Sb⋯F join the anions in polymeric layers [SbF₄] that are assembled in a 3D framework by N-H⋯F hydrogen bonds. The formation of the double protonated 3-amino-1,2,4-triazolium cation (C₂H₆N₄)²⁺, found in the crystal structure of II, is observed for the first time.

Complex salts of the composition [Co(NH₃)₆](ReO₄)₃·2H₂O (I), [Co(en)₃](ReO₄)₃ (II), [Co(NH₃)₅H₂O](ReO₄)₃·2H₂O (III), and [Co(NH₃)₅Cl](ReO₄)₂·0.5H₂O (IV) are obtained. Their crystal structures are determined by single crystal XRD. Crystallographic characteristics: (I) a = 9.9797(3) Å, b = 12.6994(3) Å, c = 14.7415(4) Å, β = 102.870(1)°, C2/c space group; (II) a = 8.0615(3) Å, b = 8.4483(4) Å, c = 8.8267(4) Å, α = 61.923(2)°, β = 89.552(2)°, γ = 72.295(2)°, P1 space group; (III) a = 8.0086(4) Å, b = 12.9839(6) Å, c = 17.5122(7) Å, β=91.858(1)°, P2₁/n space group; (IV) a = 14.9446(3) Å, b = 14.6562(4) Å, c = 12.2434(4) Å, Cmc2₁ space group.