E. V. Listopadova, S. E. Turkulets, N. S. Anikeeva
Far Eastern State Transport University, 47 Serysheva St., Khabarovsk, Russia, 680021
Keywords: образование, высшее образование, вуз, управление, система менеджмента качества (СМК), качество образования, education, higher education, higher education institution, university management, quality management system (QMS), quality of education
Subsection: MANAGEMENT OF MODERN EDUCATION SYSTEM
The authors analyze the theory and practice of introduction and implementation of the quality management system (QMS) in the higher education institution. The article provides an overview of approaches and opinions of foreign and Russian researchers on the purpose, necessity and effectiveness of QMS in higher education. Some experience in the implementation of QMS is presented based on the analysis of foreign sources and foreign practice of implementing the said system. It is noted that, originally, the quality management systems (for products and services) were applied in industry, where quantitative indicators are critical and enable to monitor the dynamics of production development and to improve the activity of the enterprise. The purpose of this article is to identify the problems related to the implementation of QMS in the education sector in general and higher education in particular. Formalization is often the main manifestation of the actions of QMS, but it not only gives no help in improving the quality of education, but also prevents it in every way. The specifics of the higher education system, such as the duality of the organizational structure (administrative and academic functions in higher education), the ambiguity in establishing criteria for measuring the quality in higher education and a high level of academic freedom of the staff and students, etc. do not allow mechanical transfer of the management technology from industry to the education sector. Formalization of the performance indicators of the teacher and the progress of the student, which are framed in the rules contained in the local university standards, may lead to the emasculation of the true content and quality of education. The work of teachers within the context of the QMS requirements is often reduced to formal preparation of the necessary documentation, confirming the realization of the corresponding parameters. Usually, both internal and external audits are limited by the inspection of documents, of the correctness of reports, graphs and diagrams rather than being related to the analysis of the real educational process. The uncritical borrowing of different technologies from foreign experience or from the spheres far from education and training, cannot give a positive effect. The authors justify the position that QMS should be subsidiary to the educational process and the content of educational activity.
An analysis of psychological foundations of the training process management is presented in the article. Training in which it is possible to track every moment in the trainee’s advancing can be considered manageable. One of the ways of training management is a special organization of the process of knowledge assimilation as a set process. The most developed in this direction is the system of training based on P. Ya. Galperin’s theory of stage-by-stage formation of intellectual actions. According to this theory, in the ontogenetic development of the person there take place the processes of internalization of actions, the gradual transformation of external actions into the internal, mental ones. Initially, the students have to deal with the external, material action. According to A. N. Leontiev, then, as a result of its gradual transformation, generalization, reducing its specific parts and changes in the level at which it is carried out, there takes place internalization of action, i.e. its transformation into internal action, which is then occurs entirely inside the mind of the learner. This process goes through a number of specific steps, from the thing-related actions via the stage of performing operations in loud speech to the action «inside oneself». In accordance with this, the training process is constructed in stages, thus it is called a step-by-step one. The second way of management of the training process is connected with the development of psychological foundations of the programmed training (B. F. Skinner, L. N. Landa and others). The essence of the programmed training is that the trainee cannot take the next «step» in the assimilation of educational material without having mastered the previous one. Learning is not only assimilation of knowledge and skills, but also a special activity providing assimilation of this knowledge. The programmed teaching provides control over every step of cognitive activity and thus makes it possible to fully control the learning process. Feedback operates continuously and allows regulating the process in accordance with the individual abilities of students to assimilate knowledge. The activity of each student is ensured, because the lack of activity is detected immediately, it is impossible to hide it. In addition, each student is trained in the optimum pace, rhythm and style for him/her.
D. V. Evzrezov
Novosibirsk State Pedagogical University, 28 Viluiskaya St., Novosibirsk, Russia, 630126
Keywords: форсайт, проектирование будущего, образование, прогресс, глобализация, foresight, planning the future, education, progress, globalization
Subsection: MANAGEMENT OF MODERN EDUCATION SYSTEM
The article analyzes the current state of education, as it is being transformed in the context of globalization. The global education system today is actively implemented and promoted by various powerful Western corporations and political structures. In Russia, the methodological tool, in which there is constantly declared a «roadmap» of change of our education system, is the annually updated «Foresight of Education 2030 (2035)», created with the participation of the Agency of Strategic Initiatives, the Higher School of Economics and Skolkovo. The feature of foresight-designing of Russian education is to bring all aspects of the construction of the educational system of Russia to Anglo-Saxon standards based on the thesis of the growth of competition in the context of globalization. In the context of globalization processes, foresight is interesting primarily as an instrument of global control, because, in the conditions of rising uncertainties, foresight in some sense provides an opportunity for a more stable game in the increasingly unstable world. It allows minimizing expenses, provides strategic mobilization of intellectual potential for the development of priorities, strategies and strategic mobilization of resources for their implementation. On October 13, 2014 in Moscow, there took place official opening of the «Global Future of Education» foresight. The task of the foresight of education, which will continue for the entire 2015 and will take place around the world, is to identify the main trends of modern education and develop practical recommendations for the period of up to 20 years. The content of the program of the "Education 2030" foresight can be reduced to three central ideas: distinguishing in the educational sample of absolute intellectual elite and the absolute intellectual «mob»; imperative requirement of separation of the high-tech services of education, for example, MEP (Massive Open Online Course) from the public education which undergoes reduction in favor of non-systemic education and training; transformation of the domestic education, turning it into educational market as the main goal and objective. The most important feature of foresight as a process of influence of the information globalization on the domestic education is the constant pressure of dismantling the state character of the educational system in general and schools in particular.
V. V. Petrov1,2, E. V. Pokasova1 1Institute of Philosophy and Law of SB RAS, 8 Nikolaeva St., Novosibirsk, 630090, Russia 2Novosibirsk State University, 2 Pirogova St., Novosibirsk, Russia, 630090
Keywords: общество знания, наука, образование, форсайт, дорожная карта, управление, принятие решений, образовательная политика, knowledge society, science, education, foresight, roadmaps, management, decision-making, educational policy
Subsection: MANAGEMENT OF MODERN EDUCATION SYSTEM
Education is an evolving institution, which is in the process of change and reform, which directly reflects the trends of modern society in general. The strategy of education development and reform in Russia is reflected in the National Education Doctrine, which sets out the education strategic objectives in conjunction with the problems of the Russian society, but no scenario of the development of education in the XXI century is specified. For an adequate response to the challenge, the education doctrine should take into account and maintain a balance between the traditions of national education and the global trends, as well as contain forward-looking scenario of the role of education. Creation of such a scenario is possible with the help of the foresight methodology, which is already beginning to be applied in setting the research priorities, but taking into account the specificity of the interaction of the Russian science and education. In recent years, foresight is gaining popularity as a meta-technology of forecasting the future in the next 20-30 years or more. The disadvantages of existing foresight projects include the fact that the forecasts are usually formed by a narrow circle of experts, whereas foresight should involve the participation of a large number of experts from all fields of activity associated with the subject of the particular project and broad discussion of a wide range of interested parties. The main distinctive feature of foresight as compared with the traditional forecasts is a focus on the development of practical measures to accelerate reaching the chosen strategic goals as a part of the existing projects, and this is not quite obvious. Foresight does not exclude the presence of several scenarios of the future and the recognition of the possibility of realization of one of the supposed scenarios completely or partially. Which of these variants will be realized depends on the trends which are given preference at the moment and the decisions which are made today.
L. V. Panshina, Yu. M. Perevozkina
Novosibirsk State Pedagogical University, 28 Viluiskaya St., Novosibirsk, Russia, 630126
Keywords: архетип, образ, коллективное бессознательное, девиантное поведение, социальное познание, ролевые категории, archetypical identity, social perception, young age, deviant behavior, social knowledge, collective unconscious, image, role
Subsection: MANAGEMENT OF MODERN EDUCATION SYSTEM
The problems of identity of young people are analyzed in the research issues under consideration. Destructive social environment fosters an increase in cruelty, aggression and deviant behavior. The authors examine the role categories, which determine the position of the subject with respect to existence. Specific stages of development are considered. In the article there are analyzed the imaginative ways of forming the individual and collective unconscious representations as a foundation of social interaction. In this context, the essence of myths is seen as a symbolic actualization of consciousness through archetypal images which optimize the unconscious, imaginative ways of social interaction. A special attention is paid to the image sphere, which is a link between inner world of the person and manifold realities of human existence. The image sphere is reflective of reality comprehension and self-regulation of life activity. The authors emphasize the relevance of the study of collective unconsciousness archetypes. Scientists believe that archetypes are the base of social knowledge mechanisms. Accordingly, the Jungian archetypes of the «self», which are considered in connection with «deep unconsciousness», can be seen in a new light, namely as some mental patterns. The person perceives the social environment through archetypical patterns. A person’s judgments of surrounding social environment depend on the dominant personality archetype. The authors hope to find new approaches to prevention and correction of deviant behavior by reconstructing the scenarios of social interaction. In solving this problem, there are considered some possible strategies to develop a relevant archetypal identity.
L. Yu. Zainieva
K. Satpaev Kazakh National Technical University, 22a Satpaev St., Almaty, Republic of Kazakhstan, 050013
Keywords: молодежь, государственная молодежная политика, закон, образование, университет, грант, кредит, программа «Болашак», youth, state youth policy, law, education, university, grant, credit, Bolashak program
Subsection: MANAGEMENT OF MODERN EDUCATION SYSTEM
The state youth policy is a complex system of the measures which are carried out by the state to support the youth. Education is considered as the direction of this activity of the state, which has the top priority in terms of its importance and efficiency. Thanks to its continuous improvement, the development of youth as a strategic resource of society is possible. In the «Kazakhstan-2050» strategy, the youth is justly called the engine of a new political and economic course of development of the Kazakhstan state. In the article, there is described the usage of internal and external resources of Kazakhstan in the educational sphere, the defining role in this process of the President of Kazakhstan, the Leader of the nation N. A. Nazarbayev is indicated. It is emphasized that the solution of many social problems of youth is connected with education. The necessity of increasing the prestige of technical specialties is emphasized. A special attention is paid to training of talented young people abroad, first of all, within the international presidential Bolashak program. The new Law of the Republic of Kazakhstan «On the state youth policy» is aimed at providing young people with affordable and quality education, development of scientific-technical potential. Implementation of the «Bolashak» program promotes the development of international cooperation of young people, the state as a whole. At present, more than 2 thousand grant-holders study in 30 countries of the world. One in two of more than 7 thousand graduates of the program works in Kazakhstan companies, both in private ones and with the state participation. One fourth work in the state offices and organizations, 20% are managers of domestic companies. Some Bolashak graduates have obtained positions in international organizations and non-governmental sector. Among the people trained by this program are specialists in the sphere of innovation technology, metallurgy, telecommunication, energy, oil-gas sector, in the field of medicine, state government. Almost 1,000 graduates work in universities of the country, about 400, in schools and colleges, 52, in the pedagogical staff and administration of the Nazarbaev intellectual schools. Around 300 people are researchers at the Nazarbaev University, 77 have PhD.
The article analyzes the problems of modern education in the context of globalization and informatization of the society. We consider the modernization processes taking place in Kazakhstan's educational space. According to the authors, they include: aspiration to a democratic system of education, that is, the accessibility of education to the entire population of the country and the continuity of its stages and levels; granting autonomy and independence of educational institutions; a significant impact of socio-economic factors on education (fee-based forms of education), and others. The features of humanization and humanitarization of modern education are shown. Today we need to talk about a new stage of humanization. This is due to aggravation of global problems of modern civilization: the problem of international terrorism which became a problem of acute world-view and methodological character, the problem of modern environmental situation; the anthropological problem which acquired the first priority; the excessive mechanization of society, threatening to turn into an inhumane paradigm of social development. These and other factors encourage to re-evaluate the role of humanities, to pay attention to the innovative techniques and methods of teaching, and, in general, to the questions of education and training of the younger generation. The social-humanitarian component is represented by a cycle of philosophical and world-view-related disciplines aimed at studying the history and theory of the human being as a special spiritual creature, the upbringing of the person. Philosophy also promotes the intellectual, moral and aesthetic development of the personality of future professions, upbringing the human capacity to a wide but at the same time profound, essential vision of the professional problems, their moral evaluation. Only a wide-minded person, assessing his/her own activity both from the perspective of professional expediency and in terms of general human values of truth, goodness and beauty, can become a true professional.
M. S. Ashilova
Ablai Khan Kazakh University of International Relations and World Languages, 200 Muratbaev St., Almaty, Kazakhstan, 050022
Keywords: образование, глобализация, информатизация, модернизация, технократизм, гуманизация, гуманитаризация, профессионализм, education, globalization, computerization, modernization, technocratism, humanization, humanitarization, professionalism
Subsection: EDUCATION IN THE CONDITIONS OF GLOBALIZATION
The article analyzes the problems of Kazakhstan education system development in the conditions of the society globalization. We consider the most urgent problems of the Kazakhstan educational system during the years of its independence. There are revealed the ethno-pedagogical features of the Kazakh people, as well as the contribution of Y. Altynsarin and Sh. Kudayberdyeva to the development of ethno-pedagogics. It is shown that the educational process should be linked to the ethno-pedagogy of people, should absorb the richness of ethnic development, because the pedagogy of each nation keeps in its memory the techniques, methods of training which have survived the true selection. Therefore any state system of education and upbringing should be based on the best examples of ethno-national pedagogy. There are addressed the issues of integrative, communicative processes in the society, associated with education, which should be based on a holistic philosophical outlook, in which the person is considered from the standpoint of harmony of the spiritual and material, sensual and rational, organic unity with the cosmos and nature.
X. An, L. Guo, N. Ren, C. Wen, X. Dong, S. Niu
Shanxi Normal University, Linfen, P. R. China
Keywords: AlnPt bimetallic cluster, hydrogen adsorption, DFT calculations, dissociation mechanism
Bimetallic alloys are considered to be a promising type of catalysts with improved activity and selectivity that are distinct from those of the corresponding pure nanoclusters [1-4]. Using first principles density functional calculations, we study the structures and energies of AlnPt bimetallic clusters up to 13 atoms. If platinum, nickel, and other transition metal catalysts are particularly important in the catalysis of hydrogen, hydrogen adsorption on a metal surface is an important step in the catalytic reaction. Because of large exothermic energy changes and relatively small activation energies, Al7Pt and Al12Pt could serve as highly efficient and low-cost catalysts for the hydrogen dissociation. To clarify this assumption and achieve a good understanding, the H2 adsorption and dissociation over bimetallic AlPt clusters are systematically investigated in our work.
N. I. Giricheva, E. A. Lapykina, M. S. Fedorov, D. A. Petrova
Ivanovo State University, Ivanovo, Russia
Keywords: дансиламид, конформеры, переходные состояния, NBO-анализ, квантово-химические расчеты, взаимосвязь структур кристалл-газ, dansyl amide, conformers, transition states, NBO analysis, quantum chemical calculation, crystal-gas structures interaction
The conformational properties of a dansyl amide molecule (CH3)2N-C10Н6-SO2NH2, which is widely used for fluorescent labeling of compounds, e.g., amino acids or nucleotides and compounds able to form liquid crystals, are studied. It is found that the molecule has six conformers with relative energies 0/0.13, 1.13/1.38, 0.06/0.06, 0.31/0, 2.95/2.70, 0.31/0 (B3LYP/cc-pVTZ and МР2/cc-pVTZ methods respectively). In all conformers the naphthalene core becomes non-planar under the effect of two substituents. The effect of the nature of substituents on the geometric parameters of the conformers is considered. In terms of the NBO analysis a substantial deviation of the S-N bond in the -SO2NH2 substituent from orthogonality and also the asymmetrical position of the -N(СH3)2 group with respect to the naphthalene core are explained. The paths and barriers of conformational transformations of the dansyl amideа molecule are determined. The structure of the (CH3)2N-C10H6-SO2NН-X moiety in the crystals is analyzed and the relationship between the relative energy of the conformers of a free molecule and the probability of the occurrence of their structures in the crystals is determined.
The thermal Curtius rearrangement of cinnamoyl azide, 1-azido-3-phenylprop-2-ene-1-one, and the reactions of some of its derivatives is studied theoretically using the DFT (B3LYP-631G(d, p) approach. The potential energy surface profiles of the rearrangement are calculated. The transition state was located and confirmed. The Curtius rearrangement of the studied compounds is a one-stage, discrete reaction. A weak effect of substitution on the reaction rate is due to the unique, localized p system of the studied molecules; strong opposing dipoles span the whole molecule.
L. M. Plyasova1, V. I. Zaikovskii1,2, G. N. Kustova1, T. P. Minyukova1, I. Yu. Molina1, N. V. Shtertser1,2, T. M. Yurieva1 1Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: Cu-Fe-Cr шпинель, распределение катионов в структуре шпинели, структурный переход в шпинели, паровая конверсия СО, Cu-Fe-Cr spinel, distribution of cations in the spinel structure, structural transition in spinel, water gas shift reaction
The structural features and the distribution of cations over crystallographic sites of copperchromite, copper ferrite, and mixed chromite-ferrites with the spinel structure obtained by thermal decomposition at 600°C and 900°C of mixed hydroxy compounds of copper, iron, and chromium with the composition Cu
2+/(Fe
3++Cr
3+) = 1/2 and different Fe
3+/Cr
3+ ratios are studied using a set of physicochemical methods. It is shown that the spinel-structure phases formed exist in two modifications: cubic and tetragonal, depending on the Fe
3+/Cr
3 ratio. The crystallographic relationship between the cubic and tetragonally distorted phases of spinel is analyzed. The distribution of cations over crystallographic sites, the character and degree of tetragonal distortion of Cu-Fe-Cr spinel depend on the Fe
3+/Cr
3+ ratio: when Fe
3+/Cr
3+ > 1, the ratio of unit cell parameters c */ а * > 1; when Fe
3+/Cr
3+ < 1, the ratio c */ а * < 1; when Fe
3+/Cr
3+ = 1, the spinel is cubic irrespective of the temperature of thermal treatment. The oxygen coordination of copper ions in the spinel structure has a significant effect on the catalytic properties of the samples in the low-temperature water gas shift reaction.
V. Ya. Kavun, E. B. Merkulov, M. M. Polyantsev, R. M. Yaroshenko, V. K. Goncharuk
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, Vladivostok, Russia
Keywords: твердые растворы с флюоритовой структурой, ионная подвижность, фазовые переходы, спектры ЯМР 19F, спектры ДСК, рентгенофазовый анализ, solid solutions with a fluorite structure, ionic mobility, phase transitions, 19F NMR spectra, DSC spectra, X-ray crystallographic analysis
The phase transitions and ionic mobility in solid solutions (SS) with the fluorite structure ((100−х)KBiF4−xZrF4, where х = 2.5−10 mol.%) are studied by DSC, X-ray crystallographic analysis, and 19F NMR methods. Phase transitions are determined in the solid solutions containing 10% of ZrF4. The types of ion motions in the SS fluoride sublattice and the corresponding temperature ranges (150−570 K) are determined. A high ionic conductivity in these solid solutions (~10-3−10-2 S/cm in the temperature range from 475 K to 550 K) is established, this fact not excluding the possibilities to use them for the production of materials with high ion conductive properties.
J. Abdelhak, S.N. Cherni, M.F. Zid, A. Driss
Université de Tunis, Tunis, Tunisie
Keywords: crystal structure, iron(III) complex, thermal behavior, visible and ultraviolet spectrometers, magnetic properties
We report herein the synthesis and physicochemical characterization of a new mixed-ligand iron(III) complex of the formula (C<sub>5</sub>H<sub>6</sub>ClN<sub>2</sub>)[Fe(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]×2H<sub>2</sub>O. This compound is prepared by slow evaporation at room temperature and characterized by single crystal X-ray diffraction. It is characterized by IR and UV-VIS spectra and thermal analysis (TG and DTA). In this compound, the iron ion has a slightly distorted square bipyramidal environment, coordinated by two chelating oxalate ions and two water molecules. Structural cohesion is essentially established by p-p interactions between the rings of pyridine groups and intermolecular hydrogen bonds connecting the ionic entities and uncoordinated water molecules. Magnetic susceptibility measurements exhibit the paramagnetic behavior at high temperatures. However, at low temperatures, the magnetic data show the occurrence of weak antiferromagnetic intermolecular interactions between the local spins.
K. R. Grigoryan, A. A. Shilajyan, A. L. Zatikyan
Yerevan State University, Yerevan, Armenia
Keywords: вязкость, уравнение Джонса-Дола, В-коэффициент, диметилсульфоксид, ионы K+ и Cl–, ab initio расчеты, SCRF расчеты, ион-молекулярные комплексы, viscosity, Jones-Dole equation, В-coefficient, dimethylsulfoxide, K+ and Cl– ions, ab initio calculations, SCRF calculations, ion-molecular complexes
Based on experimental (viscosimetric) studies, the physicochemical characteristics of solvated potassium and chlorine ions in dimethylsulfoxide-containing (DMSO) aqueous solutions are determined in the temperature range 25−40 °C. The Hartree−Fock nonempirical method (ab initio) with the (6−31+G(d,p)) basis set is used to calculate the structural and energy parameters of (K+,Cl−)/H2O and (K+,Cl−)/(H2O+DMSO) complexes in vacuum; the solvent effect is taken into account by the self-consistent reaction field (SCRF) method within the Onsager model. It is found that the solvation of individual ions in water−DMSO mixtures is due to the properties and structural features of the mixed solvent and the nature of the ions.
V. P. Korolev1, O. A. Antonova1,2, A. L. Serebryakova1,2 1Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, Russia 2Ivanovo State University of Chemistry and Technology, Ivanovo, Russia
Keywords: термодинамика, энтальпия растворения, параметры парного и тройного взаимодействия, двухкомпонентный растворитель, глицин, хлорид калия, хлорид натрия, мочевина, thermodynamics, enthalpy of dissolution, pair and triple interaction parameters, two-component solvent, glycine, potassium chloride, sodium chloride, urea
The enthalpies of dissolution of glycine in aqueous electrolyte solutions are measured by calorimetry at temperatures of 288 K, 298 K, and 313 K in the molality range from 0.25 mol/kg to 6 mol/kg NaCl and to 4.5 mol/kg KCl. The enthalpy and heat capacity parameters are determined for the pair and triple interactions of glycine with electrolyte in water. Special (singular) points are discovered on the concentration dependences of the heats of dissolution of glycine in aqueous electrolyte solutions and in urea solutions at different temperatures. At these points, such a structurally sensitive property as the entropy of dissolution is temperature independent and the partial heat capacity of glycine is equal to that of the crystalline amino acid. The position of the singular point on the concentration axis is identical for NaCl and KCl solutions; in the case of urea solutions, the singular point is achieved at a much higher concentration of urea.
L. N. Zelenina1,2, T. P. Chusova1, N. V. Podberezskaya1, D. A. Piryazev1,2, I. V. Korolkov1,2 1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: полиселениды празеодима, термодинамическое моделирование, выращивание кристаллов газотранспортным методом, рентгенофазовый и рентгеноструктурный анализ, praseodymium polyselenides, thermodynamic simulation, crystal growth by vapor transport, powder X-ray diffraction and single crystal X-ray diffraction study
By thermodynamic simulation of the Pr−Se−I system, the optimal growth conditions for new crystalline praseodymium polyselenide PrSe1.95, whose existence was proved in our previous works, are determined. Based on the obtained information, the PrSe1.95 crystals are grown by the vapor transport technique using iodine as the transport agent. The crystals produced are identified by microprobe and powder X-ray diffraction analysis. Single crystal X-ray diffraction shows that the crystals are not monophasic, but consist of blocks with tetragonal and monoclinic symmetries, which have a common structural prototype (PbFCl). For two different crystals cut out of a larger one, the structure is determined and the composition is refined. The results of powder and single crystal X-ray diffraction analyses of one of these crystals (monoclinic one) coincide.
S. V. Borisov, S. A. Magarill, N. V. Pervukhina
Nikolaev Institute of Inorganic Chemistry, Novosibirsk, Russia
Keywords: кристаллографический анализ, анионные "скелеты", катион Tl+ в сульфидах, координация Tl+, Tl+S-подрешетки, crystallographic analysis, anion skeletons, Tl+ cation in sulfides, Tl+ coordination, Tl+S sublattices
A crystallographic analysis of ellisite Tl3AsS3, fangite Tl3AsS4, lorandite TlAsS2, and synthetic Tl3AsS3 shows that the configuration of atomic positions in these structures is determined mostly by the ordering of S2– anions and the large massive Tl+ cations in a single packing. The standard coordination of the As cation is provided only by the strong covalent As–S bonds; the environment of Tl+ cations varies depending on the geometry of their packing with sulfur.
L. S. Dovlitova, D. V. Ivanov, L. A. Isupova, V. V. Malakhov
Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Keywords: стехиография, метод дифференцирующего растворения, фазовый состав, композитные катализаторы, слоистые перовскиты, stoichiography, differential dissolution method, phase composition, composite catalysts, layered perovskites
The results of the application of stoichiographic method of differential dissolution (DD) to analyze mixed oxides with the perovskite-like structure are presented. The samples of Sr1Ti0.9Mg0.1O3 with the ABO3 stoichiometry of perovskite and samples of Sr2Ti0.9Mg0.1O4 with the A2BO4 stoichiometry of layered perovskite (where A = Sr2+; B = Ti4+, Mg2+) are prepared by a mechanochemical method and analyzed before and after catalytic tests. Conditions of the detection, identification, and quantitative determination of different phases in the compositions of the samples are described. The surface comppositions of the initial samples are determined by the DD method, and changes observed after the catalytic tests are noted. The DD results are compared with the powder XRD results.
The crystal structure of the solid solution of alum NH4Al0.43Fe0.57(SO4)2×12H2O (I) is studied in the space group Ра3(-) and its maximal subgroups R3(-), P1(-), and P1. In centrosymmetric space groups sulfate ions occupy one of two opposite orientations, and in the triclinic group P1 four of eight tetrahedra have the same orientation. The second harmonic generation is observed when a train of chirped optical pulses of ytterbium diode pumped solid state laser passes through the crystal of I.
S. A. Adonin1,2, M. N. Sokolov1,2, V. P. Fedin1,2 1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: висмут, иодидные комплексы, 2,2'-бипиридил, 1,10-фенантролин, кристаллические структуры, bismuth, iodide complexes, 2,2'-bipyridyl, 1,10-phenanthroline, crystal structures
Mononuclear complexes TBA[Bi(NN)I4] (TBA = tetra-n-butylammonium, NN = 2,2'-bipyridyl (1) and 1,10-phenanthroline (2)) are synthesized by the reaction of BiI3, tetra-n-butylammonium iodide, and the corresponding ligand in acetone with subsequent crystallization from a benzene-acetone mixture. By changing the solvent used in crystallization to ethanol, binuclear [Bi2(NN)2I6] complexes (3 and 4) are produced. The crystal structure of the compounds is determined by single crystal X-ray diffraction.
A. Badri1, M. Hidouri1, M.L. López2, M.L. Veiga2, C. Pico2, J. Darriet3, M.Ben Amara1 1Université de Monastir, Monastir, Tunisie 2Universidad Complutense, Madrid, Spain 3Institut de Chimie de la Matière Condensée de Bordeaux, CNRS, Pessac-Cedex, France
Keywords: iron phosphates, synthesis, crystal structure, phase transitions, IR
Three isostructural iron monophosphates KNiFe(PO4)2 (KNi), KMgFe(PO4)2 (KMg-LT, where LT means "low-temperature stable phase"), and KCoFe(PO4)2 (KCo-LT) are synthesized and structurally characterized from X-ray diffraction data. They crystallize in the monoclinic system with the space group P21/c. Their structures have in common a three-dimensional framework, built up by infinite zigzag chains of edge-sharing MO6 (M = Ni, Mg or Co) octahedra, linked by FeO5 and PO4 polyhedra via vertices and edges to form a rigid skeleton. The K+ ions are located in formed tunnels. DTA showed that KNi has a congruent melting at 941 °C, whereas KMg-LT and KCo-LT undergo irreversible phase transitions from P21/c to different high-temperature structures with the C2/c symmetry. IR absorption bands are assigned to different vibrations of the PO4 tetrahedron.
X. Du, R. Yang, X.X. Wang, G.H. Cui
Hebei United University, Tangshan, Hebei Province, P. R. China
Keywords: 1,2,3,4,5-benzenetetracarboxylate, bis(benzimidazole), cobalt(II), fluorescence property
A new 2D cobalt(II) coordination polymers namely {[Co2(btec)(L)2]×4H2O}n (1), where btec = 1,2,4,5-benzenetetracarboxylate and L = 1,3-bis(5,6-dimethylbenzimidazol-l-yl)-2-propanol, are hydrothermally synthesized and characterized by elemental analyses, IR spectroscopy, and single crystal X-ray diffraction analyses. The structure analysis indicates that the compound belongs to the triclinic system, space group Pī, a = 12.198(2) Å, b = 15.0750(2) Å, c = 15.194(2) Å, α = 77.420(2)°, β = 77.872(2)°, γ = 85.538(2)°, V = 2664.2(5) Å3, Z = 2. The complex possesses a binodal (3,4)-connected two-dimensional layered structure bridged by btec and L ligands. The fluorescence and catalytic properties of the complex are also investigated.
The reaction of [Pt2(μ-Se)2(PPh3)4] with diphenyliodonium bromide gave [Pt2(μ-Se)(μ-SePh)×(PPh3)4]+ through arylation of a selenide ligand. The complex is characterised by 31P NMR spectroscopy, elemental microanalysis, ESI mass spectrometry, and a single crystal X-ray diffraction study, which showed the four-membered {Pt2Se2} ring to be slightly puckered.
The possibilities of studying the local structure in isomorphic systems by methods based on the minimization of the interatomic interaction energy are considered in the work. The original procedure for the theoretical analysis of the local structure, which the authors have been developing for a number of years and have implemented in four computer programs, is discussed in detail. The practical implementation of this procedure is exemplified by the following solid substitution solutions: halite-sylvin (Na,K)Cl, corundum-eskolaite (Al,Cr)2O3, spinel-magnesiochromite Mg(Al,Cr)2O4, chrysoberyl-mariinskite Be(Al,Сr)2O4, grossular-uvarovite Ca3(Al,Cr)2[SiO4]3. Calculations are performed on a SKIF MGU Chebyshev supercomputer for supercells containing several thousands of atoms. The performed analysis of the behavior of changes in the geometric characteristics of CrO 6 octahedra in various isomorphic systems makes it possible to reveal the main reasons affecting the alteration of the relaxation parameter. It is found that the key factor is the size of the common structural unit of an isomorphic mixture. Thus, the behavior of the relaxation parameter obeys the isomorphism assistance rule.
a:2:{s:4:"TEXT";s:54:"L. A. Gribov1, N. I. Prokof’eva2";s:4:"TYPE";s:4:"html";} 1Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, Russia 2State University of Civil Engineering, Moscow, Russia
Keywords: колебания молекул, теория, ангармонизм, вариационный метод, molecular vibrations, theory, anharmonism, variational method
A variational method of the solution of anharmonic problems in the theory of molecular vibrations in curvilinear coordinates (central force) with accurate taking into account the kinematic anharmonicity is proposed. The simplicity of computational procedures provides the application of this approach to the analysis of states of large molecules.
V. Ya. Kavun1, M. M. Polyantsev1, L. A. Zemnukhova1,2 1Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, Vladivostok, Russia 2Far Eastern Federal University, Vladivostok, Russia
Keywords: гептафтородиантимонаты(III) цезия, рубидия, ионная подвижность, фазовый переход, ионная проводимость, спектры ЯМР 19F, ДСК, cesium-rubidium heptafluorodiantimonates(III), ionic mobility, phase transition, ionic conductivity, 19F NMR spectra, DSC
The ionic mobility and conductivity in the crystalline phase of Cs0.4Rb0.6Sb2F7 (I) is studied using 19F NMR, DSC, and impedance spectroscopy methods. The analysis of the 19F NMR spectra makes it possible to follow the character of ion motions in the fluoride sublattice in the temperature range of 150−470 K, and to determine the types and temperature ranges of these motions. It is found that diffusion of fluorine ions becomes the dominant type of ion motions in the modification formed as a result of the reversible phase transition ( T = 415 K, the DSC data) in compound I. According to the preliminary results of electrophysical studies, the ionic conductivity in this compound is ~10-3 S/cm at temperatures above 450 K.
N. L. Lavrik1, E. V. Gornostaeva2 1Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: талая вода, сетка водородных связей, ИК спектры, melted water, hydrogen bond net, IR spectra
D. S. Ogienko1, A. I. Smolentsev1,2, S. N. Konchenko1,2 1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: полиядерные комплексы, молибден, сера, фосфор, гетероциклические соединения, супрамолекулярные соединения, кристаллическая структура, polynuclear complexes, molybdenum, sulfur, phosphorus, heterocyclic compounds, supramolecular compounds, crystal structure
We have determined the crystal structure of a supramolecular compound Cs2[Mo10S10O10(OH)10(H2O)4](C4H2S(PO2H)2)×21H2O comprising quasi-one-dimensional chains consisting of alternating cyclical [Mo10S10O10(OH)10(H2O)4] clusters and C4H2S(PO2H2)2 acid residuals of thiophene-2,5-diphosphonic acid hydrogen bonded with each other.
P. A. Petrov1,2, G. A. Sosnin2, D. Yu. Naumov1, S. N. Konchenko1,2 1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: кластерные комплексы, молибден, сера, рентгеноструктурный анализ, cluster complexes, molybdenum, sulfur, single crystal X-ray diffraction study
The seven-electron neutral cluster complex [Mo3S4(dppe)3Cl3] (dppe = Ph2PCH2CH2PPh2) is obtained by the reduction of the [Mo3S4(dppe)3Cl3]Cl cluster with gallium metal. The molecular and crystal structure of [Mo3S4(dppe)3Cl3]×3.5C4H8O2×0.5Et2O solvate is determined by single crystal XRD. The crystallographic data are as follows: monoclinic crystal symmetry, space group C2/c, a = 41.1775(16) Å, b = 17.7178(7) Å, c = 28.9609(9) Å, β = 110.363(1)°, V = 19808.7(13) Å3, Z = 8, dcalc = 1.384 g/cm3.
S. P. Khranenko1, N. V. Kuratieva1,2, A. V. Zadesenets1,2, S. A. Gromilov1,2 1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: свинец, кобальт, рентгеноструктурный анализ, кристаллохимия, твердый раствор, сплав, lead, cobalt, single crystal X-ray diffraction study, crystal chemistry, solid solution, alloy
The structure of [PbCo(NO2)3(μ-OH)2]2 is determined by single crystal X-ray diffraction. The geometric characteristics are analyzed and the packing motif is determined.
V. V. Verpekin1, O. S. Chudin1, D. A. Piryazev2,3, A. I. Rubaylo1,4,5, S. A. Gromilov2,3, O. V. Semeikin6 1Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russia 2Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 3Novosibirsk National Research State University, Novosibirsk, Russia 4Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russia 5Siberian Federal University, Krasnoyarsk, Russia 6Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia
Keywords: рений, железо, платина, винилиденовые комплексы, гетерометаллические комплексы, кластеры, рентгеноструктурный анали, rhenium, iron, platinum, vinylidene complexes, heterometallic complexes, clusters, single crystal X-ray diffraction study
The X-ray diffraction study of a new heterometallic cluster CpReFePt(μ3-C=CHPh)(CO)5[P(OPri)3]2 is performed. The crystallographic characteristics are as follows: a = 11.0275(4) Å, b = 33.0367(12) Å, c = 12.2691(5) Å, β = 98.3660(10)°, V = 4422.2(3) Å3, space group P21/n , Z = 4, dcalc = 1.744 g/cm3. The cluster contains the phenylvinylidene ligand coordinated with a trimetallic core in the form of a Re-Fe-Pt chain (the Re-Fe and Fe-Pt bond lengths are 2.794(7) Å and 2.628(1) Å respectively; the Re∙∙∙Pt distance is 3.354(1) Å).
X. Zhang, L. Liu, L. Qin, G.H. Cui
Hebei United University, Tangshan, Hebei Province, P. R. China
Keywords: Ag(I) complex, 1,4-bis(5,6-dimethylbenzimidazol-1-yl)butane, crystal structure
A new coordination polymer {[Ag4(L)3(nip)2](H2O)}n(L = 1,4-bis(5,6-dimethylbenzimidazol-1-yl)butane, H2nip = 5-nitroisophthalic acid) is hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction. The complex features a 3D sqc117 supramolecular framework based on unique tetranuclear Ag(I) clusters which involve the ligand-supported Ag-Ag interactions.
A one-dimensional Cd(II) complex [Cd(Bu<sub>2</sub>bpy)(tbip)×H<sub>2</sub>O]<sub>n</sub> (1) (Bu<sub>2</sub>bpy = 4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine, H<sub>2</sub>tbip = 5-<i>tert</i>-butyl isophthalic acid) is synthesized and characterized using single crystal X-ray diffraction, IR spectroscopy, and elemental analysis. The single crystal X-ray diffraction analysis reveals that complex 1 is a one-dimensional double chain polymer based on {Cd<sub>2</sub>(OCO)<sub>2</sub>} dimeric kernels with a Cd⋯Cd separation of 4.3197(7) Å. The thermal stability and luminescent properties of the title complex are briefly investigated.
V. A. Afanasieva1, L. A. Glinskaya1, D. A. Piryazev1,2, S. A. Gromilov1,2 1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: золото, рений, тетраазамакроцикл, комплексная соль, рентгеноструктурный анализ, рентгенофазовый анализ, кристаллохимия, термолиз, gold, rhenium, tetraazamacrocycle, complex salt, single crystal X-ray diffraction study, powder X-ray diffraction, crystal chemistry, thermolysis
Perrhenate of the tetraazamacrocyclic complex of gold(III) [Au(C14H22N4)]ReO4 is synthesized. The crystal structure of the compound is determined by single crystal X-ray diffraction. The crystallographic data are as follows: а = 7.733(2) Å, b = 11.368(2) Å, c = 11.685(2) Å, α = 116.23°, β = 104.26°, γ = 94.96°; V = 870.3(3) Å3, space group P(-1), Z = 2, dcalc = 2.647 g/cm3, R = 0.0245. The packing of the complex is comprised of double stacks of cations and chains of anions linked into two-dimensional layers due to weak intermolecular interactions (non-classical hydrogen bonds C-H…O, C-H…Au, C-H…p and the Au…Au contacts). The thermal decomposition of the obtained compound in the hydrogen atmosphere is studied. According to the powder X-ray diffraction data, the product of the reduction of the synthesized salt is a mixture of nanocrystalline phases of Re and Au with the coherent-scattering regions of 17 nm and 13 nm respectively.
I. S. Khan1,2, D. G. Samsonenko1,2, V. P. Fedin1,2 1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: кристаллическая структура, координационные полимеры, кадмий, crystal structure, coordination polymers, cadmium
The crystal structure of a novel chained metal-organic coordination polymer [Cd(dmf)(ntca)] obtained by heating of cadmium nitrate and naphthalene-1,4,5,8-tetracarboxylic acid monoanhydride (H
2ntca) in N,N'-dimethylformamide (DMF) is determined.
S. A. Adonin1,2, E. V. Peresypkina1,2, M. N. Sokolov1,2, V. P. Fedin1,2 1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia 2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: висмут, иодидные комплексы, полиморфизм, кристаллическая структура, bismuth, iodide complexes, polymorphism, crystal structure
The structure of a new polymorph of the trinuclear iodobismuthate complex TBA3[Bi3I12] (TBA = tetra-n-butylammonium) (1) synthesized by the reaction of BiI3+TBA-I in the presence of silver triflate is identified.
A. M. Astachov1, A. D. Vasiliev2, D. V. Antishin1, E. S. Buka1 1Siberian State Technological University, Krasnoyarsk, Russia 2Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russia
Keywords: нитримины, производные нитрогуанидина, рентгеноструктурный анализ, строение молекул, nitrimines, nitroguanidine derivatives, single crystal X-ray analysis, molecular structure
The molecule of S,S'-dimethyl-N-nitroimidodithiocarbonate has a planar geometry (with the exception of hydrogen atoms of methyl groups), stabilized by the shortened S…O contact. The bond lengths in the >С=N-NO2 nitrimine moiety, in contrast to nitroguanidine derivatives, make it possible to consider the molecular structure of the compound within the traditional valence formula. The crystal structural feature of the compound is a low energy of its crystal lattice.
O. A. Maiorova1, V. S. Grinev2, A. Yu. Yegorova1 1Chernyshevsky National Research Saratov State University, Saratov, Russia 2Institute of Biochemistry and Physiology of Plants and Microorganism, Russian Academy of Sciences, Saratov, Russia
Keywords: рентгеноструктурный анализ, кристаллическая структура, азо-гидразо таутомерия, внутримолекулярная водородная связь, 3-(2-(2-нитрофенил)гидразоно)-5-фенил-3H-фуран-2-он, X-ray crystallographic analysis, crystal structure, azo-hydrazone tautomerism, intramolecular hydrogen bond, 3-(2-(2-nitrophenyl)hydrazono)-5-pheny-3H- furan-2-one
The X-ray crystallographic method is used to determine the crystal structure and characteristic features of the molecular structure of 3-(2-(2-nitrophenyl)hydrazono)-5-phenyl-3
H-furan-2-one produced by the reaction of azo coupling of 2-nitrophenyldiazonium salt with 5-phenyl-3
Н-furan-2-one.
N. Shajari1, A.R. Kazemizadeh1, A. Ramazani1, S.W. Joo2, K. Ślepokura3, T. Lis3, A. Souldozi4 1Zanjan Branch, Islamic Azad University, Zanjan, Iran 2Yeungnam University, Gyeongsan, Republic of Korea 3University of Wrocław, Wrocław, Poland 4Urmia Branch, Islamic Azad University, Urmia, Iran
Keywords: N,N'-dimethylthiourea, trichloroacetyl isocyanate, triazinane, X-ray diffraction
The title compound 1,5-dimethyl-6-thioxo-1,3,5-triazinane-2,4-dione C<sub>5</sub>H<sub>7</sub>N<sub>3</sub>O<sub>2</sub>S is synthesized via the reaction between N,N'-dimethylthiourea and trichloroacetyl isocyanate in dichloromethane. The structure of the title compound is characterized by IR, <sup>1</sup>HNMR, <sup>13</sup>C NMR, elemental analysis, and single-crystal X-ray diffraction. The crystal structure reveals the role of N-H⋯O and C-H⋯O hydrogen bonds, and C=O⋯π interactions in the arrangement of the molecules into ribbons, which are further joined to each other to form double-layers parallel to the (001) plane.