Home – Home – Jornals – 2009 number 6

The article is devoted to the studying the notion of legal nihilism and its reasons. The aim is to show the necessity of forming legal consciousness of the students during their studying law. According to the Cosmic Model of the World, the legal rules are determined by other social rules which are completed in law. Nihilism is the nihilism against either legal rules or other social rules.

The goal of the article is to consider the model to format the professional culture students of high schools legal specialities with use of mobilisation technologies. The author notices that the existing theory and practice of preparation of lawyers in the conditions of modern realities of the Russian society are a little effective and has ripened necessity for development of new approaches to this problem. In article the program socialpsychological maintenance of mobilisation the students legal specialities of the high schools, developed by the author in which basis the new educational paradigm («preparation of the person - persons, the citizen, the expert» has been put) as integrated basis of formation of professional qualities of students is analyzed.

In the article the author investigates the tradition of Russian Enlightenment as a necessary component of modernization in education. Modernization is opposed to modernism that breaks with the education traditions.  A special meaning of Russian interpretation of education which differs from the Western one is emphasized.

The purpose of the article is to reveal the reasons of a paradoxical character of the modern individualization which produces an abstract person instead of individuality. The author supposes that the reasons of the abstractness of the person are realization of individualization apart from social traditions, interests and the emergence of a «society without the 'social'» (i.e., without developed social connections). It is revealed that the modern form of identification which provides identifications with any person becomes a mechanism of abstracting the person, which is different from the former mechanism of introducing norms. It is demonstrated that the ultimate limit of the abstractness is the mass society which is, at the same time, beyond all abstractions.

Crisis and culture as opposite social phenomena, considered in the light of logically integral way of thinking (philosophical culture), appear in their totality. The financial-economic crisis, being, in fact, the state (regional and global) crisis, is the crisis of people's spiritual culture. The latter is the crisis of social organism, world civilization. A universal resource of overcoming the crises is the culture of life organized in family, civil society and state as freely operating self-consciousness of people.

In the article there is considered the beginning of the missionary activity in Altai, whose purpose was the cultural and religious enlightenment of Altai's native population and its introduction to the Orthodox Christian traditions. The main trends of the educational process in the mission schools -- the center of religious and moral education - are considered in the article based on the archives files. The Scripture knowledge, Russian and Slavic grammar, arithmetic were studied at these schools. The teaching was conducted using the native language. In the article there are used the archive files, which contain information about the influence of Christianity on the consciousness and lifestyle of the newly baptized people.

The article considers the role and place of the Russian philosophical book in the spiritual life of the person and highlights the necessity of studying the phenomenon of reading for the formation of spirituality of the modern generation. Philosophical approaches towards reading in the historical retrospection and the modern state of the problem are analyzed. The attitude of the scientific world towards the moral state of the modern literature is shown. A book is considered as a source of self-education and individual spiritual life of a person. The author thinks that reading the philosophical book facilitates formation of the world outlook, personal and spiritual development of the modern person.

An innovative model of the society can be stable and efficient only when education rests upon its basic element of development, that is, cultural values. Studying person's activity from the historical point of view contributes to working out a clear idea about cultural and historical prerequisites of the contemporary person formation. The article considers the world outlook positions of people, who lived in different historical periods and influenced their contemporaries and the descendants in the latest ages. The person here, as a matter of fact, is a subject of psychic activity who has certain influences upon his/her own mentality, and, indirectly, upon the outward things. His/her world outlook alters the ideology of many people, so the mankind, as a consequence, leaps forward. The questions of the gradual formation of person's subjectivity and its staying independent of the exterior determinative forces are also investigated.

The article considers the problem of the uniform beginning of the natural-science and humanitarian knowledge, distinguishing a humanitarian-ethical basis of the scientific research. Such forming basis is represented by a certain «Conceptual bank» of the culture and the cultural context as a whole. The author emphasizes the importance of dialogue as a tool of the scientific research. Dialogue is understood as obligatory conceptual discussion of each question during the scientific research.

This article presents a social-philosophical analysis of the Russian society development from collectivism to individualism. The goal is to describe the problems of universal disconnection, the decline of moral principles, and the loss of the state identity on the national scale. The author has analyzed the destructive influence of the West and the methodological origins of the collectivism theory. The article claims also that globalization problems concern everybody, and the moral education helps to preserve our uniqueness through the comprehension and improvement of social relations.

In the article there is considered the genesis and contemporary state of philosophy in the system of domestic education. There are described some historic periods of banning philosophy in domestic education and also education as a subject of philosophical understanding. It is noted that education is a phenomenon of existence or an image of existence; therefore, it should be considered only from the philosophical positions. There are distinguished in the article the directions of philosophical analysis of the education problems in the history of education and in present time.

Authors of clause have made an attempt researches of education as process in its parity with such ontologic phenomenon as development, and also the general have analysed and especial in interaction ontology and axiology in education, having designated that a way of education through development to socialization. Statement of the given problems is caused, on the one hand, by requirements of time, - cardinal changes in development of a society and the system education, and with another - need for a reflection above questions of the theory of the education sharply requiring today in philosophical judgement and a substantiation.

The author states that globalization leads to transformation which does not allow to estimate the importance of the past for realizing the specific features of axiological values characterizing historical traditions of the society and it plays an important role in forming the entire social and cultural world outlook.
Axiological content of historical cognition in modern Russian conditions, as immanent to its property, determines national values. Values, which find actual socio-political expression in national interests and further, they are clarified in national aims, which determine incorporation of national historical cognition in the sphere of national security of Russia.

Reforming of Russian education is called to promote improvement of its quality and development of human potential. From the social-philosophical point of view, innovations in education are means and ways of development of the educational institute which are to provide formation of the subject of social relations according to new realities. Possibilities given by the development of the gender theory for formation of the subject are shown. The contribution of the gender approach to the curriculum contents and the teaching methods is analyzed.

The applicability of the equation e^{-((r₁-r₀)/b)5/3} + e^{-((r₂-r₀)/b)5/3} = 1 has been studied. The equation defines the relationship between the experimental values of the covalent (r₁) and hydrogen (r₂) bond lengths in O-H…O bridges for describing the relation between the experimental interatomic distances in N-H…N bridges and the parameters of X-H…X fragments (X = O, N, F, Cl) calculated by the density functional method (B3LYP/6-31++G(d,p)) for neutral, positive, and negative molecular complexes. Here r₀ is the mean value of the X-H bond length in free molecules; r_sym is the X…H distance in the symmetrical bridge; and b is the coefficient defined by the equation b = (r_sym - r₀)/(ln2)^3/5. This equation allows us to adequately describe the relationships between bond lengths in nearly linear hydrogen bridges formed by oxygen, nitrogen, fluorine, and chlorine atoms. It is thus universal and can be used in studies of a wide range of substances.

The densities of states, atomic charges, and partial components were calculated by the B3LYP method for lithium, sodium, and potassium nitrites, nitrates, chlorates, perchlorates, sulfites, and sulfates using a localized basis of atomic orbitals and CRYSTAL06 software. The calculated densities of states N(E) are in good agreement with the experimental photoelectron spectrum (UPS). The crystallographically nonequivalent metal and oxygen atoms are in different charged states, which leads to a splitting of the N(E) bands.

A simple generalization of the free electron model is suggested for describing the heteroatomic conjugate molecules and obtaining analytical equations for the energy levels of these systems. The δ-like potential is used as a potential of a heteroatom in this model, and the energy levels are obtained as corrections for first order perturbation theory.

A series of exohedrally functionalized derivatives of the D₆-symmetrical C₂₄ fullerene, with attached -CH₂OH, -CONH₂, -COOH, and -COH chemical groups, have been investigated by using density-functional theory approach at the UB3LYP/6-31G(d) level. According to the calculated results, the C₂₄(COOH) is the most stable structure, with -73.58 kcal mol^-1 value for the functionalization reaction energy and 3.16 eV for the dissociation energy, while C₂₄(CONH₂) displays the largest dipole moment (3.09 D). It was also found that the HOMO-LUMO energy gaps, the vertical ionization potentials (VIP), and vertical electron affinities (VEA) of these functionalized derivatives are similar to those of the more stable C₂₄ fullerene. Moreover, their corresponding HOMO and LUMO orbitals are mainly associated with the surface of the cage. Also, the vibrational frequencies of these derivatives are discussed. It was concluded that it would be possible to produce novel species for bio-medical applications by attaching selected chemical groups.

The complexation of 3,6-substituted 1,2,4,5-tetrazines with benzotriazole was studied theoretically based on the vibrational spectra. For model complexes, the energy was minimized by the geometrical parameters, and the spectral characteristics were calculated by the PM3 method. The shift of the bond vibration frequencies of the atoms involved in complexation after the formation of different various intermolecular contacts was determined. This made it possible to determine the type of intermolecular interaction and suggest the structures of the complexes.

The IR spectra of L-serylglycine (HN-СH(CH₂-OH)-СO-NH-СH₂-СOO^-), recorded at 413-93 K, have been studied, and the observed frequencies were assigned. Based on the results, we concluded that the stability of hydrogen bonds in the structure changed as a result of variation of temperature. The conclusions were compared with the results of IR spectroscopic studies of the crystals of α-glycylglycine, DL-serine, and glycine under the similar conditions.

The properties and behavior of dinitrourea and its potassium and dipotassium salts in different solvents have been studied by IR and UV spectroscopy. In different media, dinitrourea can exist in several tautomeric forms. An XRD study of the potassium and dipotassium salts of dinitrourea revealed a tendency toward equalization of the bond lengths of the C-N^--NO₂ fragments compared with those of C-NH-NO₂, which agrees with the results of quantum-chemical calculations.

The temperature dependences of the EPR spectrum of the 2-trifluoromethylnitrobenzene radical anion in DMF:H₂O mixtures, caused by the dynamic modulation of the fluorine isotropic hyperfine interaction by the hindered internal rotation of the CF₃ group, have been measured and reconstructed numerically. The activation energy of rotation (E_F) and the dynamic mode depended on the water content in the mixture. For mixtures with a molar fraction of water χ = 0, 0.186, 0.315, 0.409, 0.534, 0.650, 0.810, and 0.910, E_F = 34.70 kJ/mol, 41.31 kJ/mol, 42.30 kJ/mol, 38.41 kJ/mol, 37.01 kJ/mol, 34.51 kJ/mol, 24.10 kJ/mol, and 21.78 kJ/mol, respectively. For χ = 0.186 in the temperature ranges accessible for measurements, the dynamic exchange is slow; for χ = 0.315, 0.409, 0.534, and 0.650, transitions from slow to intermediate and fast exchange take place; for χ = 0.810 and 0.910 in the temperature ranges under study T∈[252, 309]; [254, 297] (K), the exchange is fast. In the range 0.6 < χ < 0.9, E_F decreased drastically, and the activation energy of rotational diffusion (E_r) of the radical anion became maximum, which corresponds to the range of the compositions of DMF:H₂O with maximum deviations from the ideal state.

The supported Pt/SiO₂ (EuroPt-1) catalyst has been studied by the radial distribution of electron density (RDED) and EXAFS techniques. The starting sample of the catalyst was stored in air, not subjected to any further treatment, and contained metal platinum Pt⁰ and platinum oxide PtO in a ~1:2 ratio. An analysis of the EXAFS data was based on three possible structural models of platinum particles. Model 1 suggested that there was one Pt-Pt short contact, which was the same in the bulk of the particles and on the surface. Model 2 considered two different Pt-Pt distances for the particle volume and surface. For model 3, we additionally assumed that the corresponding Debye-Waller factors differed. For the oxidized sample, model 2 was most reliable, and the Pt-Pt distance between the surface atoms was shortened by ~0.14 Å. For the reduced samples, the structural data obtained are consistent with model 3.

In chemical analysis and XRPA studies, it has been found that the products of fluorination of graphite, graphite bifluoride, and tetracarbon polyfluoride with gaseous and liquid fluorooxidants (ClF₃, ClF₅, XeF₂, and FNO₃) and their solutions in anhydrous hydrogen fluoride and freon-113 at 20-100°C, having a limiting composition, are second stage intercalated compounds based on dicarbon polyfluoride with the corresponding fluorooxidant, or the reduced form of fluorooxidant, or a fluorooxidant and a solvent. The degree of C-F bond ionicity in C₂F was higher than in CF, but lower than in C₄F. However, the bond is closer in character to the covalent C-F bond in monocarbon polyfluoride.

Relations for the apparent molar heat capacity φ_с of urea in an aqueous solution depending on the molality m and temperature were obtained. A transition to the relations φ_с(m,T) for D₂O-(ND₂)₂CO and Т₂O-(NТ₂)₂CO systems was effected by temperature scaling. At low temperatures, the isotherms of the molar heat capacity C_p(m) of the protium and deuterium systems have minima shifted to more dilute solutions at elevated temperatures. At m = 1, C_p of a solution does not depend on temperature in both systems. The dependences C_p(T) also have minima at constant concentrations. The temperature of the minimum heat capacity is most effectively lowered by small additions of urea. For m = 0.25, T_min is 7.5 K lower than T_min of pure water, and its heat capacity is 0.08 J/(mol K) higher. A transition from m = 1.5 to m = 2 lowers the temperature of the minimum heat capacity by 3.6 K; thus, the heat capacity of solutions differs by 0.02 J/(mol K) only.

The structure and energies of six tautomeric forms of 5-hydroxy-6-methyluracil (OMU) and their 1:n (n = 1-4) complexes with water were determined by the density functional theory (PBE/3z) method. The stability series of the tautomers and changes in it depending on the number of water molecules in the nearest environment of the tautomer were found. The effect of the water solvent was also included using the continuum (B3LYP/6-311+G(2d,p), COSMO) model. Both complex formation and medium effects significantly influenced the stability series of the tautomers. Although the decrease in the energy of the diketo form on hydration was smaller than for the enol states, diketo tautomer a remained the most stable form of OMU in solution. Inclusion of hydration in calculations suggests that the energies of three enol tautomers b-d were equalized (ΔH ≈ 5.5 kJ/mol). This should be taken into account for the conditions that facilitate the keto-enol tautomerism of OMU.

Structures with regular sublattices of vacancies, vacancy clusters, and channels constructed from the fcc and bcc packings of spheres were analyzed. Homologous series of structures were constructed, and formulas were derived to correlate the basic structural characteristics with the composition of the "vacancy compounds" A_mV_n. The thermodynamic stabilities of structures with vacancies were compared with the stability of a flaw-free structure in the range of negative pressures using the simple interatomic interaction potential. Structures with vacancy clusters and channels may be more stable than the ideal structure in a certain range of pressures. This paper summarizes the results of simulations of structures with vacancy sublattices based on close packings of spheres described in this work and previous publications and their thermodynamic stability at negative pressures.

Thermolysis of the complex salts (NH₄)₂[OsCl₆]_x[PtCl₆]_1-x (х = 0.25-0.9) formed nanocrystalline Os_xPt_1-x phases. Pseudomorphism has been found: the habit of the single crystals of the starting salts is preserved during thermolysis, and the ~10-20 nm metal particles are agglomerated into octahedral structures sized 5-10 μm.

By chemical vapor deposition in the hydrogen atmosphere from Re₂(CO)₁₀ and Re(CO)₃(Cp) on steel and ceramic (С/SiC) substrates, rhenium coatings are obtained with an average thickness of 3-13 μm, when Re₂(CO)₁₀ is used, and of 2-8 μm when depositing from Re(CO)₃(Cp). The coatings are studied by X-ray diffraction and scanning electron microscopy. It is shown that when Re₂(CO)₁₀ is used, an increase in the deposition temperature results in the growth of textured coatings with preferred orientation of crystallites in the [0 0 2] direction. At the same time, a tendency for decreasing the size of rhenium crystallites is observed. With the change of evaporator temperature, the structure of Re coatings obtained from Re(CO)₃(Cp) on steel substrates changes considerably: from compact non-layered without the obvious growth direction (T_evaporator = 120°C) to a three-layer structure, where the initial layer has a compact structure followed by columnar and powdered layers (T_evaporator = 110°C). A fine compact coating is formed on ceramic substrates at an evaporator temperature of 110°C.

Compounds with compositions [Rh(H₂O)₆]₂(SO₄)₃·4H₂O (I), (H₃O)[Rh(H₂O)₆](SO₄)₂ (II), [Rh(H₂O)₅OH](SO₄)·0.5H₂O (III), and [Rh(H₂O)₆]₂(SO₄)·(H₂SO₄)_x·5H₂O (IV) have been studied. The crystal structures of II, III, and IV were determined. All compounds crystallized in the monoclinic crystal system. Crystal data for II: a = 7.279(2) Å, b = 10.512(7) Å, c = 15.806(3) Å, β = 96.71(3)°, space group P2₁/n, Z = 2, d_calc = 2.334 g/cm³; III: a = 20.433(4) Å, b = 7.820(2) Å, c = 11.215(2) Å, β = 114.14(1)°, space group C2/c, Z = 8, d_calc = 2.559 g/cm³; IV: a = 6.2250(4 Å), b = 27.0270(12) Å, c = 7.2674(5) Å, β = 97.04(3)°, space group P2₁/c, Z = 4, d_calc = 2.143 g/cm³. The compounds were studied by IR spectroscopy and powder X-ray diffraction. All of the isolated crystalline phases are sparingly soluble in ethanol and well soluble in water.

Heterometallic complexes [СuSr(SalH)₄(DMAA)₄(H₂O)] (II) and [CuBa(SalH)₄(DMAA)₄ (H₂O)] (III) were synthesized by interaction of salicylates of s elements with copper nitrate. A mixture of III and vanadyl sulfate yielded the crystals of a homonuclear complex [CuCu(SalH)₄(H₂O)₂]·2DMAA (I). According to single crystal X-ray data, all of the products are of lantern type and belong to two space groups: I is triclinic, space group P-1, unit cell parameters a = 9.9083(2) Å, b = 10.5077(3) Å, c =10.9512(3) Å, α = 112.736(2)°, β = 114.0800(10)°, γ = 93.131°; II and III are tetragonal, space group P4/n, lattice parameters a = b = 16.3180(3) Å, c = 8.7838(2) Å for II and a = b = 16.362(3) Å, c =8.920(1) Å for III. The copper atoms have a square-pyramidal environment. The coordination number of Sr and Ba is 8, and the coordination polyhedron can be represented as a Thomson cube in both cases. The carboxylic groups are coordinated in a syn-syn bridging mode. The oxygen atom of the hydroxyl group of salicylic acid is not involved in coordination, but forms intramolecular hydrogen bonds to the carboxylic groups. The hydrogen bonds between water and DMAA solvate molecules, as well as π-π interactions between the aromatic fragments of the dimers, play a particularly important role in the molecular packing in crystal.

X-ray diffraction (XRD) is used to investigate the crystal structures of the alkaloid peganine, its hemihydrate and nitrate. It is shown that (±)-peganine forms a cocrystal with the alkaloid peganol. It is typical of the alkaloid (-)-peganine crystal structures to form a closed dimer pair because of reciprocal O-Н…N1 hydrogen bonds. Analogous H-bonds are also observed in the (±)-peganine-(±)-peganol cocrystal, where the center of symmetry binds together similar molecules to form associates. In (±)-peganine nitrate crystals, the NH⁺ and ОН groups of the alkaloid form H-bonds simultaneously with two oxygen atoms of nitric acid anions.

We succeeded in synthesizing a new high-spin complex [Fe₂(CN)₁₂Ni₃(L)₆]·27H₂O, where L is stable nitroxide 2-(imidazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-3-oxide-1-oxyl. According to X-ray diffraction data, the metal core of the pentanuclear [Fe₂(CN)₁₂Ni₃(L)₆] molecule is a trigonal bipyramid with Fe atoms occupying the axial positions and linked via CN bridges to {NiL₂} fragments laying in the equatorial plane. A peculiarity of this coordination compound is a large number of water molecules per the [Fe₂(CN)₁₂Ni₃(L)₆] pentanuclear molecule in the structure. The complex character of the μ_eff(T) dependence points to many competing channels of exchange interactions between the three types of paramagnetic centers.

The Schiff base derivatives prepared from 4-acetyl-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one and alkyl amines are shown to remain exclusively in the amine-one(I) tautomeric form in chloroform solutions at room temperature using a combination of ¹H, ¹³C, APT, COSY, HMQC, and HMBC NMR spectroscopic methods. The crystal structure of 5-methyl-2-phenyl-4-{1-[(pyridin-2-ylmethyl)-amino]-ethylidene}-2,4-dihydro-pyrazol-3-one showed that this
4-acylpyrazolone Schiff base stays in the amine-one(I) form in the solid state as well, and the solid state structure supports the fact that strong hydrogen bonding between amine hydrogen and the pyrazolone C₃ carbonyl oxygen helps to stabilize the amine-one(I) tautomer.

Compound I contains in its molecule pyridyl, monoxime and hydrazone functions. A non-merohedral twin crystal of the compound with two reciprocal lattices differently oriented and giving rise to double diffraction spot sets with the 0.5:0.5 ratio of the twin components was studied. The hydrazone and oxime units are approximately planar. The dihedral angles between this plane and the planes of the pyridine and phenyl rings are 30.79(19) and 18.43(13)°, respectively. Both the oxime and hydrazone units in I have an E configuration. The molecules of I are linked via C-H…O and O-H…N hydrogen bonds forming a 3D framework. The compound was also characterized by IR, ¹H NMR and elemental analyses.

Based on thermodynamic perturbation theory, we calculate the surface tension for aluminium nanodrops of various radii. The size dependence obtained with the Schommers potential is compared with the results corresponding to other effective pair potentials. It is stated that the asymptotic value of the surface tension of large nanodrops produced by the Schommers potential is better consistent with the existing experimental data.

Crystals of ZnGeAs₂ and AgGaTe₂ are used as examples to show the results of applying the sublattice method. The latter enables one to visualize the formation of valence band structure, electron density and chemical bond as a result of interactions between the atoms in various sublattices of the crystal.

The theoretical models of spin crossover (equilibrium between the high- and low-spin isomers of transition metal complexes) are compared. The models yield similar descriptions of the one-step spin crossover, but different descriptions of the two-step transition curves because of different approaches to the calculation of molecular interactions. The parameters of the Ising-like Hamiltonian reflect the lattice response to the distribution of molecules, and the parameters of the free energy functional reflect the molecular interactions, due to which the sharpness of transition can be correlated with the molecular properties.

NMR data are used to determine the type of preferred interaction of phenol derivatives with ovalbumine. Hydrogen bonding of an OH-phenol group with protein aminoacids is followed by the precipitation of a solid complex. The rate of this process depends on the substituent in the benzene ring.