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Avtometriya

2012 year, number 2

7201.
Selection of Basic Parameters of Adaptive Optical Systems

V. P. Lukin
Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences
lukin@iao.ru
Keywords: adaptive optics, atmospheric turbulence, laser system, telescope, coherence
Pages: 3-11

Abstract >>
One possible approach to determining the minimum set of parameters of an adaptive system whose operation is aimed at minimizing distortions arising in modern optoelectronic systems is considered. The basic source of distortions is assumed to be atmospheric turbulence, which imposes the most severe constraints on optical radiation in the atmosphere. The following basic parameters of the system are proposed: number of degrees of freedom, required frequency band (dynamic characteristic, and constraint on the spectral characteristics). Some parameters of the reference source (its size, position, and properties) are determined. The results are obtained in the form of analytical functions, which allows calculating the parameters of the adaptive system that can be used in numerous scenarios in the atmosphere.



7202.
Computer Simulation of Adaptive Optics for Laser Systems in Atmospheric Applications

P. A. Konyaev
Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences
peter@iao.ru
Keywords: adaptive optics, laser systems, turbulent atmosphere, computer simulations, parallel algorithms
Pages: 12-19

Abstract >>
Software for computer simulations of adaptive optics systems for atmospheric laser applications designed on the basis of advanced parallel programming techniques is developed. The adaptive optics system model includes the emitting aperture geometry and beam propagation path scenario, vertical profiles of atmospheric parameters, fast parallel split-step Fourier algorithm for solving wave diffraction and propagation equations, time-dependent models of "frozen" atmospheric turbulence with a wide range of scales, and models of the wavefront sensor and controlled deformable mirror. The hardware system for computer simulations is an off-the-shelf desktop with a 6-core 12-thread Intel® Core™ i7-970 CPU at the maximum frequency of 3.5 GHz and an NVIDIA® GeForce GTX 580 graphic accelerator with 512 universal processors operating at 1.5 GHz. Results of simulations of adaptive imaging and laser beam shaping, aimed at estimating the efficiency of adaptive optics systems on atmospheric paths are presented.



7203.
Thin Dynamic Holograms with an Asymmetric Fringe Profile

V. Y. Venediktov
St. Petersburg State Electrotechnical University
vlad.venediktov@mail.ru
Keywords: liquid crystal, spatial light modulator, dynamic holography
Pages: 20-29

Abstract >>
Results of an investigation and a comparison of schemes used for recording dynamic holographic gratings in a liquid-crystal spatial light modulator, which ensure grating profile asymmetrization and, thus, a significant increase in its diffraction efficiency, are presented. Three approaches are considered: digital, analog, and self-asymmetrization of the profile due to the effect of a secondary field induced in the nematic volume. It is demonstrated that the first two approaches provide recording of gratings with low spatial frequencies (several mm−1) and with an approximately equal rate of asymmetry (the potential efficiency of diffraction to the first order is 70-75 %), while the third approach provides recording of gratings with a much higher spatial frequency (hundreds of mm−1), but with a lower efficiency (about 50 %).



7204.
Phase Correction of Laser Radiation with the Use of Adaptive Optical Systems at the Russian Federal Nuclear Center- Institute of Experimental Physics

S. G. Garanin, A. N. Manachinsky, F. A. Starikov, S. V. Khokhlov
Russian Federal Nuclear Center-Institute of Experimental Physics, Institute of Laser Physics Research
fstar@mail.ru
Keywords: adaptive optical system, wavefront sensor, wavefront aberrations, phase correction
Pages: 30-37

Abstract >>
Results obtained at the Institute of Laser Physics Research (which is part of the Russian Federal Nuclear Center - Institute of Experimental Physics) on phase correction of pulsed and continuous wave laser radiation by closed-loop adaptive optical systems (AOS) with flexible deformable mirrors are described. With the help of a conventional AOS including a Hartmann-Shack wavefront sensor and an adaptive mirror having a 220 × 220 mm aperture, aberrations of the beam of a powerful pulsed laser facility called Luch have been reduced by an order of magnitude. The development of special software for reconstruction of singular wavefronts by the Hartmann-Shack sensor has allowed us to perform the correction of a doughnut-shaped Laguerre-Gaussian vortex laser beam in an AOS with a bimorph mirror and to focus it into a bright axial spot that drastically increases the Strehl ratio. Adaptive optical systems have been developed where the adaptive mirror control is ensured by searching for an extremum of a chosen criterion functional with the help of a stochastic parallel gradient algorithm rather than by means of wavefront measurements. Embedding of microcontrollers into the control unit has allowed us to reach an AOS bandwidth of 5 kHz and to demonstrate the dynamic phase correction of tip-tilts and higher aberrations of the wavefront caused by turbulence induced by heating of the beam propagation path under laboratory conditions.



7205.
Analysis of Static Errors of Adaptive Mirrors

A. V. Chernykh, O. I. Shanin, V. I. Shchipalkin
Scientific Research Institute SIA "Luch"
oshanin@luch.podolsk.ru
Keywords: adaptive optical system, wavefront sensor, adaptive mirror
Pages: 38-43

Abstract >>
A technique for experimental studies of the compensatory abilities of adaptive mirrors (AM) is developed and substantiated. The structure of the static residual error of correction is analyzed on the basis of experimental data for a particular AM. The theory of optimal placement of drives on the AM aperture is confirmed by experimental results.



7206.
Using Photodetectors in Shack-Hartmann Wavefront Sensors

L. V. Antoshkin, V. V. Lavrinov, L. N. Lavrinova, V. P. Lukin
Zuev Institute of Atmospheric Optics, Siberian Branch of Russian Academy of Sciences
lvv@iao.ru
Keywords: centroid coordinates, photodetector, intensity distribution
Pages: 44-51

Abstract >>
High-resolution cameras are used as photodetectors in the image recording plane of a Shack-Hartmann wavefront sensor to record centroid coordinates which provide basic information for wavefront reconstruction. A comparative analysis is made of the accuracy of determining the centroid coordinates for CCD and CMOS cameras. The modes of instantaneous sampling and frame-by-frame accumulation of information from the cameras are considered.



7207.
Wavefront Compensation Method Using a Shack-Hartmann Sensor as an Adaptive Optical Element System

A. V. Kudryashov, V. V. Samarkin, Y. V. Sheldakova, A. G. Aleksandrov
Moscow State Open University
kud@activeoptics.ru
Keywords: adaptive optics, deformable mirror, correction of laser radiation, phase conjugation algorithm
Pages: 52-58

Abstract >>
This paper considers the use of an adaptive optical system for compensating aberrations of a laser radiation wavefront. Bimorph mirrors are used as correctors, and the wavefront is measured by a Shack-Hartmann sensor. Disadvantages of this adaptive system and ways to overcome them are discussed.



7208.
Principles of Designing Adaptive Relay Systems for Stratospheric Power Transmission

V. I. Kishko, V. F. Matyukhin
Moscow State Technical University of Radio Engineering, Electronics, and Automation
mirea@mirea.ru
Pages: 59-66

Abstract >>
Problems of designing laser power transmission systems in a turbulent atmosphere using relay mirrors mounted on a stratospheric airship are analyzed. It is shown that such a system can be designed using a high-power ground-based ytterbium fiber laser, relay mirrors for transmitting highpower laser radiation, and an adaptive optical system for correcting the phase distortions of laser beams due to atmospheric turbulence. A model of a laser power transmission system was designed and tested under laboratory conditions; the tests confirmed the possibility of correcting atmospheric-turbulence distortions during guiding and high-accuracy stabilization of laser beams.
Keywords: laser power transmission systems, fiber lasers, adaptive optical system, stratospheric airships, laser relay mirror.



7209.
Tests of an Adaptive Optical System on a Model Atmospheric Turbulent Path

S. V. Pikulev, V. V. Semenkov, A. V. Chernykh, O. I. Shanin, V. I. Shchipalkin
Scientific Research Institute SIA "Luch"
oshanin@luch.podolsk.ru
Keywords: modeling, turbulent atmospheric path, adaptive optics, wavefront sensor, adaptive mirror
Pages: 67-75

Abstract >>
Physical modeling is a powerful tool for studying and testing various technical objects. In tests of an adaptive optical system (AOS), it is necessary to measure phase distortions of real objects (paths, devices, etc.) to identify real requirements and ranges of modeling. This paper presents estimates of modeling conditions and results of AOS tests under model conditions, namely, experimental results of adaptive correction of a laser radiation wavefront in a turbulent atmospheric path ~100 m long. In the experiments, the standard deviation of the wavefront and the divergence of the radiation before and during the correction were recorded. In some cases, the correction efficiency in terms of standard deviation exceeded 10 times.



7210.
Adaptive Focusing of Coherent Radiation with the Use of a Fluctuating Illuminating Signal as a Reference Source

L. A. Bol'basova, V. P. Lukin
Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences
lukin@iao.ru
Keywords: correction, reference source, phase, coherence
Pages: 76-85

Abstract >>
Adaptive focusing of a coherent beam in a turbulent atmosphere is considered. Distributions of the mean intensity of the field of a coherent laser beam focused in a turbulent medium by means of adaptive phase correction with the use of a point reference source are calculated. The source retains a random position on the object onto which laser radiation is focused. Results of adaptive focusing with moving and motionless reference sources are compared.



7211.
Modified Hartmann Method for Measuring Wide-Aperture Adaptive Mirrors

D. M. Lyakhov, O. I. Shanin, V. I. Shchipalkin
Scientific Research Institute SIA "Luch"
oshanin@luch.podolsk.ru
Keywords: Hartmann method and diaphragm, mathematical model, wide-aperture adaptive mirror, control system
Pages: 86-91

Abstract >>
Various laser systems use wide-aperture adaptive mirrors containing dozens or hundreds of drives. Thousands of high-precision measurements are based on the use of such mirrors. A simple, cheap, high-precision, and rapid method specifically designed to study the characteristics of these mirrors with a large number of degrees of freedom is described.



7212.
Advanced Adaptive Correction of Turbulent Distortions Based on a Shack-Hartmann Wavefront Sensor Measurements

L. B. Antoshkin, V. V. Lavrinov, L. N. Lavrinova
Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences
lnl@iao.ru
Keywords: prediction, centroid coordinates, frozen turbulence time, transverse wind speed, random phase screen, differential method, wavefront sensor
Pages: 92-102

Abstract >>
The propagation of laser radiation through the atmosphere is accompanied by a change in the light field under the influence of turbulence and is a random process. An adaptive system that includes a Shack-Hartmann wavefront sensor and a flexible mirror corrects distortions found at the previous time but changed before being corrected by the system. Analysis of turbulence within a given time period allows one to predict turbulent distortions at the subsequent time and use it to make a correction in the radiation phase distribution. The adaptive correction performance can also be improved by preparing the reflective surface of the adaptive mirror based on predictions of the state of the wavefront at the next time by the turbulence parameters and the transverse component of the wind speed found in previous Hartmann-Shack sensor measurements.



7213.
Usage of Wavefront Sensor for Estimation of Atmospheric Turbulence Parameters

M. S. Andreeva, N. G. Iroshnikov, A. B. Koryabin, A. V. Larichev, V. I. Shmalgauzen
Lomonosov Moscow State University
larichev@optics.ru
Keywords: atmospheric turbulence, turbulence modeling, Zernike polynomials, radiation propagation, Shack-Hartmann sensor
Pages: 103-111

Abstract >>
A method is proposed to estimate the structure constant Cn2 and the outer scale L0 of turbulent fluctuations in Hartmann sensor measurements of the wavefront parameters of a light beam transmitted through a turbulent path. The method is based on expansion of phase fluctuations within a given aperture into a series of Zernike polynomials and statistical analysis of the coefficients of this expansion. Application of the method to estimating the parameters of fluid cell turbulence yielded results which are in good agreement with estimates obtained by other methods. The paper also presents the results of modeling based on measurements of the transverse component of the wind velocity on the path determined by correlation of the local slopes at four virtual subapertures.



7214.
Generation of Control Signals for Adaptive Systems Using Laser Atmospheric Backscatter

Y. I. Malashko, V. M. Khabibulin
Head Systemic Design Bureau, Raspletin Air Defense Corporation "Almaz-Antei"
malashko@yandex.ru, xbm.slava@gmail.com
Keywords: adaptive optics, laser radiation, atmospheric backscatter
Pages: 112-118

Abstract >>
A method for controlling an adaptive optical system by using the intensity of laser atmospheric backscatter is studied. Mathematical modeling is used to study the generation of a control signal in a monostatic loop and, as a consequence, the range of beam focus with the closed loop. It is shown that this method of generation does not lead to beam collimation even for beams of diffraction quality.



7215.
Spectrophotometric Method for Measuring the Groove Depth of Calibration Reflection Gratings

V. P. Korol'kov, S. A. Konchenko
Institute of Automation and Electrometry, Siberian Branch of Russian Academy of Sciences Novosibirsk State University
victork@iae.nsk.su
Keywords: measuring the depth of microrelief, calibration structures, spectrophototometric method, reflection measurements
Pages: 119-127

Abstract >>
A method for measuring the groove depth of calibration gratings is proposed which is based on measuring the spectral dependence of the the zero-order reflection diffraction efficiency. The errors of the method are determined by three main factors: the shift of the maxima of the spectrum due to the wall slope of the grating grooves, the error in setting the wavelength of the spectrophotometer, and the divergence of the light beam in the setup. It is shown theoretically that the measurement error is in the range of 0.25-1 %, depending on the fabrication technology of the grating and measuring equipment. The method was tested experimentally using commercial calibration gratings. The range of applicability of the method is discussed in terms of the geometrical parameters of the microstructure of reflection gratings and the characteristics of the spectrophotometer used.



"Philosophy of Education"

2012 year, number 2

7216.
THE CONCEPTUAL FOUNDATIONS OF REALIZATION OF THE CONTINUITY PRINCIPLE IN THE EDUCATIONAL SPHERE

S. N. Dmitrieva
Keywords: continuity, the principle of continuity, continuing education, development, change
Pages: 4-11

Abstract >>
In the article, the conceptual foundations of realization of the continuity principle in the educational sphere are considered. The relevance of its consideration is associated with the violation of the relationships of succession in the goals and objectives, contents and methods, forms of organization of education and training.



7217.
THE PHILOSOPHICAL BASES OF SOCIALIZATION OF PERSONALITY

A. A. Grigor'eva
Keywords: еducation, human development, communication, socialization, personality, socio-cultural factor in education, formation of social experience of children, the concepts of socialization, interactions of the individual and society
Pages: 12-18

Abstract >>
The task of socialization of the child's personality is particularly significant in our society in the period when there has occurred reorientation of the values substantially influencing  the process of  formation of the social experience of children. The way of development of our society now and in the future depends on the values that are formed by the young people today, to what extent the young children will be ready for a new type of social relations. The philosophical analysis of the essence of socialization of personality is performed  in the article.



7218.
THE PROBLEMS OF THE NATURE-CONFORMING EDUCATION

V. P. Lavrova, A. A. Baishev
Keywords: the nature-conforming education, emotional comfort, physiological value, physiological expenditure, optimization, psychological - pedagogical support, innovative nature-conforming model
Pages: 18-23

Abstract >>
The main factor of the stable development of the country, society, ethnos and also the individual person is education, oriented to the nature-conformity of the educational processes, training and directed development. The foundation of the nature-conforming approach to education is orientation to psychological peculiarities of students in the process of education including special ways which correspond to their specificities.



7219.
HUMANITARIZATION OF EDUCATION IN THE HISTORICAL AND PHILOSOPHICAL CONTEXT

A. I. Zakharova
Keywords: humanism, humanization, humanitarizaction of education, humanitarian thinking and spirituality
Pages: 23-29

Abstract >>
The search for effective ways to implement the ideas of humanitarization of education is in constant renewal and improvement. Therefore, by writing this article, the author aims to analyze the historical and philosophical background and development of the ideas of education humanitarization at various stages of development of philosophical thought. Based on the analysis of philosophical, socio-psychological literature on the formation of the individual, author allocates the starting basic foundations of research.



7220.
A PEDAGOGICAL ASPECT OF GLOBALIZATION AND THE ETHNIC MENTALITY

N. D. Neustroev
Keywords: ethnic pedagogy, the cultural-historical pedagogy, molding of personality, ethnic mentality, general humanistic values, international contact, capability for identification
Pages: 30-36

Abstract >>
Ethnic pedagogy is considered as a type of the cultural-historical pedagogy. The cultural-historical category, which lies at the foundation of cultural-historical pedagogy, is treated as the life of a special cult in the historical space and time. These cults come out as «globalizers» in cultural-historical pedagogy, the discussion deals with the fact that in molding of personality in the specific periods of social development these or other peoples occupied the determining role, then being united with others or being decomposed, but in spite of all this they preserved their ethnic mentality.



7221.
THE HISTORY OF FORMATION AND DEVELOPMENT OF THE SPECIAL EDUCATION SYSTEM OF YAKUTIYA

I. A. Yudina
Keywords: the correctional pedagogical help, the special education system of Yakutiya
Pages: 36-43

Abstract >>
The author has made a periodization of formation and development of the special education system of Republic of Sakha (Yakutiya) to figure out the qualitative originality of the process of formation of the correctional pedagogical help system to children with special needs in Yakutiya on the basis of historical pedagogical studying of the given process according to N. N. Malofeevs periodization of the development of the special education system of Russia, correlating with the evolution of the attitude of the state and society to the persons with special needs. The general states and distinctive features of development of the all-Russian and regional special education systems have been determined, which provides a basis for determining the conditions of the further improvement of the special education system in Yakutiya.



7222.
THE BOLOGNA PROCESS AND THE NATIONAL SYSTEM OF EDUCATION

A. S. Savvin
Keywords: the Bologna process, integrated European educational system, progressive meaning, the loss, specificity, national educational system
Pages: 43-47

Abstract >>
The Bologna process as an attempt of creation of an integrated European educational system on the principles of globalization has a progressive meaning. On the other hand, unwise and rapid realization of this process can lead to irreversible losses, the loss of specificities by the national educational systems.



7223.
THE MAIN TRENDS OF IMPROVEMENT OF ETHNO-PEDAGOGIZATION OF THE TRAINING-UPBRINGING PROCESS

A. D. Semyonova
Keywords: education, development, teaching, self-development, harmonious person, ethno-pedagogization of teaching and upbringing process, tradition, socialization
Pages: 47-53

Abstract >>
The aim of the article is to substantiate the unity and interconnection of educational institutions, family and society that form the integrity of educational space in the region. The author demonstrates four basic fundamental positions of teaching and upbringing process: support of traditions which are of great vitality and creativity; further development of regional ethnic trend of national traditions; creation of ethno-pedagogical space on the basis of team-work of school, public, municipal and state organizations according to the residence; raising the level of teaching and educational process on the foundation of the factors of natural development of the person in the regional conditions.



7224.
THE ESSENCE AND PRINCIPLES OF NURTURING THE CULTURE OF INTERNATIONAL COMMUNICATIONS

L. S. Yadrikhinskaya
Keywords: culture, interethnic communications, national character, tolerance, civil consent, ethnic and cultural content of education, ethnic socialization
Pages: 53-60

Abstract >>
The aim of the article is to reveal the essence and principles of nurturing the culture of international communications in the educational sphere. The author undertakes an attempt of theoretical comprehension of the phenomenon of civil consent in the context of national-ethnic problems. On the basis of theoretical analysis of the social-science literature on the problems of international communication, the author determines fundamental positions in relation to nurturing the culture of international communications of children in the preschool and school ages.



7225.
THE PHILOSOPHY OF PERSONALITY IN THE CONDITIONS OF CROSS-CULTURAL COMMUNICATION

V. A. Vinichenko
Keywords: cross-cultural communication, tolerance, utilitarianism, personality of the human being
Pages: 61-66

Abstract >>
The author analyzes the content and role of cross-cultural communication at the modern stage of development of the society; the conditions of this communication prompt the person to make a choice of life philosophy. In the article, the author suggests considering possible variants of behavior of the person based on the principles of tolerance or utilitarianism. The essence of the «tolerance» concept is presented in the modern philosophical interpretations. The major principles of utilitarianism are considered in detail.



2012 year, number 2

7226.
CRYSTAL STRUCTURE OF A NEW TERNARY MOLYBDATE Rb5CeZr(MoO4)6

L. I. Gongorova, B. G. Bazarov, O. D. Chimitova, A. G. Anshits, T. A. Vereschagina, R. F. Klevtsova, L. A. Glinskaya, Z. G. Bazarova
Keywords: rubidium, cerium, zirconium, molybdate, synthesis, crystal structure
Pages: 330-334

Abstract >>
A ternary salt system Rb2MoO4-Ce2(MoO4)3-Zr(MoO4)2 is studied by powder XRD. Single crystals of 5:1:2 ternary rubidium-cerium-zirconium molybdate Rb5CeZr(MoO4)6 are obtained by solution melt crystallization under spontaneous nucleation conditions. The crystal structure is solved by X-ray crystallography (X8 APEX automated diffractometer, МоKα radiation, 1274 F(hkl), R = 0.0456). The parameters of a trigonal unit cell are: a = b = 10.7248(2) Å, c = 38.796(1) Å, V = 3864.52(14) Å3, Z = 6, Rc space group. The three-dimensional complex framework comprises Мо tetrahedra linked to two independent (Ce,Zr)O6 octahedra. Two types of rubidium atoms occupy large cavities of the framework.



7227.
CRYSTAL STRUCTURES OF TWO ENANTIOMORPHOUS 2-ETHYLPIPERAZINEDIIUM HEXAAQUACOPPER SULFATES [(R or S)-C5H14N2][Cu(H2O)6](SO4)2

F. Hajlaoui1, H. Na??li1, S. Yahyaoui1, T. Mhiri1, T. Bataille2
1 Laboratoire de l′Etat Solide, Département de Chimie, Université de Sfax
2 Sciences Chimiques de Rennes (UMR CNRS 6226), Groupe Matériaux Inorganiques: Chimie Douce et Réactivité, Université de Rennes I
houcine_naili@yahoo.com
Pages: 335-341



7228.
CRYSTAL STRUCTURE OF THE RUTHENIUM(II) NITROSOTRICHLORO COMPLEX Na[RuNOCl3(H2O)OH]·2H2O

V. A. Emel'yanov, I. A. Baidina, S. A. Gromilov
Keywords: ruthenium, nitroso complexes, chloro complexes, X-ray diffractometry, crystal chemistry
Pages: 342-347

Abstract >>
The crystal structure of the coordination compound Na[RuNOCl3(H2O)OH]·2H2O is reported. The complex is studied by IR and NMR spectroscopy, powder and single crystal X-ray diffraction. Crystallographic data determined for H7Cl3NNaO5Ru is: a = 6.648(2) Å, b = 8.216(7) Å, c = 10.063(3) Å, α = 89.75(6)°, β = 70.96(2)°, γ = 78.76(5)°, V = 967.9(2) Å3, P1 space group, Z = 4, dx = 2.165 g/cm3.



7229.
STRUCTURE OF NEW TRIDENTATE 2,6-BIS(IMINO)PYRIDYL RUTHENIUM(II) COMPLEXES WITH 2,3,6-TRIMETHYL BENZENAMINE LIGAND

J.K. Kim1, H. Yoo2
1 Samyang Genex Corporation
2 Department of Chemistry and Institute for Applied Chemistry
hyojong@hallym.ac.kr
Keywords: 2, 6-bis(imino)pyridyl ligand, ruthenium(II) complex, 2, 4, 6-trimethyl benzenamine ligand, trans arrangement of hydrogen and chloride ligands
Pages: 348-353

Abstract >>
New tridentate 2,6-bis(imino)pyridyl ruthenium(II) complexes, [N3]Ru(H)(Cl)(2,4,6-(CH3)3C6H2NH2) (4) and [N3]Ru(Cl)2(2,4,6-(CH3)3C6H2NH2) (5) ([N3] = 2,6-(2,4,6-(CH3)3C6H2N=CCH3)2C5H3N) have been synthesized and characterized. The crystal of complex 4, which has been grown in benzene/cyclohexane by evaporation at room temperature, was studied by X-ray diffraction. Complex 4 crystallizes in the monoclinic space group C2/c with cell parameters of a = 42.243(4) Å, b = 8.1480(5) Å, c = 23.662(2) Å, β = 117.998(1)°, V = 7191.1(10) Å3, and Z = 8. The molecular structure of 4 shows a six coordinate, pseudo-octahedral geometry with a trans arrangement of hydrogen and chloride ligands. The mesityl ligands are oriented approximately perpendicular to the 2,6-bis(imino)pyridyl ligand plane, and form a pocket surrounding the 2,4,6-trimethyl benzenamine ligand. The coordinated 2,4,6-trimethyl benzenamine (2,4,6-(CH3)3C6H2NH2) is in the cis to chloride and hydride, trans to pyridine ligand, and lies parallel to one of the mesityl rings.



7230.
MOLECULAR INTERACTIONS IN 2-AMINOPYRIDINIUM MALONATE

R. Chitra1, P. Roussel2, F. Capet2, G.J. Abraham3, R.R. Choudhury1
1 Solid State Physics Division, Bhabha Atomic Research Center
2 UCCS, CNRS UMR 8181, ENSC Lille UST Lille
3 Material Science Division, Bhabha Atomic Research Center
Keywords: 2-aminopyridinium, malonate, single crystal X-ray diffraction, Raman scattering, DSC, IR
Pages: 354-359

Abstract >>
A new complex of 2-aminopyridine and malonic acid in a 1:1 stoichiometric ratio is obtained. The complex crystallizes in a centrosymmetric P21/c space group with a = 3.8522(2) Å, b = 17.5226(8) Å, c = 13.7317(7) Å and β = 94.418(3)°. This complex is held by network of hydrogen bonds between the protonated 2-aminopyridinium cation and the malonate anion. There is no phase transition observed in this complex, which is verified using DSC and single crystal X-ray measurement studies. Unlike 2-aminopyridinium maleate, this complex crystallizes in the centrosymmetric space group and hence, this complex will not exhibit any non-linear optical property.



7231.
MOLECULAR AND CRYSTAL STRUCTURE OF 2,3-DIMETHYL-5-(2′-METHYLPROP-1′-ENYL)-6-(MORPHOLYL-4′-CARBONYL)-CYCLOHEX-3-EN-1-CARBOXYLIC ACID

E. V. Mironova, M. S. Dzyurkevich, O. A. Lodochnikova, D. B. Krivolapov, I. A. Litvinov, V. V. Plemenkov
Keywords: 2, 3-dimethyl-5-(2'-methylprop-1'-enyl)-6-(morpholyl-4'-carbonyl)-cyclohex-3-en-1-carboxylic acid, crystal and molecular structure, anti-conformation of the carboxylic group, X-ray crystallography
Pages: 360-363

Abstract >>
An X-ray structural examination is carried out for 2,3-dimethyl-5-(2′-methylprop-1′-enyl)-6-(morpholyl-4′-carbonyl)-cyclohex-3-en-1-carboxlic acid that is one of the products of the Diels-Alder reaction of an acyclic monoterpene alloocimene with maleic and citraconic anhydrides followed by the ring opening of adducts with morpholine to corresponding amides. The crystals are triclinic; a = 10.619(1) Å, b = 12.784(2) Å, c = 14.328(2) Å; α = 65.752(1)°, β = 87.932(1)°, γ = 78.120(1)°; V = 1733.0(3) Å3, P-1 space group, Z = 4 (two independent molecules). In both molecules, the anti-conformation of the carboxylic group is observed, the conformation being stabilized by an intramolecular hydrogen bond involving the carboxylic hydrogen atom and ketonic oxygen.



7232.
EFFECT OF THE STRUCTURAL CHARACTERISTICS OF DIHYDROFOLATE REDUCTASE INHIBITORS ON THEIR METABOLIC PROPERTIES

E. S. Afon'kina, N. N. Pal'ko, G. A. Matveev, N. A. Toreeva, V. A. Potemkin, M. A. Grishina
Keywords: structure-property relationship, molecular docking, dihydrofolate reductase, conformational analysis, shortened contacts, metabolites, "receptor-ligand" complex, tuberculostatic agents
Pages: 364-371

Abstract >>
The orientation of dihydropyrimidine derivatives containing podand chains is determined in the model receptor using the CiS algorithm. The orientation of compounds with podand chains is compared with the location of compounds without podand chains in the model receptor. The pharmacophore and antipharmacophore parts of the compounds are analyzed. Amino acid residues responsible for the effective interactions of the compounds with podand chains with the binding site of dihydrofolate reductase (DHFR) are identified using the X-ray diffraction data. The mechanism of the action of tuberculostatic compounds with podand chains in their composition is proposed, which assumes the studied molecules to undergo metabolism by cytochrome P450 isoform 3A4 forming metabolites. The most active are the metabolites without the fragments of podand chains, which interact with DHFR. Therefore, the compounds containing podand chains are prodrugs.



7233.
A QUANTUM CHEMICAL STUDY OF TRICYCLOOCTANE AND ITS CONGENERS

S. G. Semenov, A. G. Solov'eva
Keywords: tricyclic hydrocarbon, rhodium and palladium organic compound, prismane, symmetry, structure, isomerism
Pages: 372-375

Abstract >>
A PBE0/6-311G(3d5f7,p) quantum chemical method is used to determine the structural parameters of the molecules of sin- and anti-tricyclo[4.2.0.02.5]octane, [2.2.2]propellane, tricyclo[3.3.0.02.6]octane, prismanes (CH)2n (n = 1-7), and dicubane С12Н8. Bond lengths in anti-tricyclo[4.2.0.02.5]octane amount to 1.572 Å. The tetratomic ring in tricyclo[3.3.0.02.6]octane is a flattened tetrahedron with internuclear distances of 1.551 Å and 2.037 Å. The symmetry of C8H8 sin-tricyclo[4.2.0.02.5]octa-3,4,7,8-tetrayl moieties in prismanes and metal organic compounds (C8H8RhCl2RhC8H8, C8H8RhCl2RhC7H8, and C8H8PdCl2) is higher than the symmetry of a free sin-tricyclo[4.2.0.02.5]octane molecule.



7234.
CHEMICAL BONDING AND PROPERTIES IN [Ni(N-HETEROCYLIC CARBENE)(NO)(R)] (R = H, Me, HC=CH2, AND C≡CH) COMPLEXES: THEORETICAL INSIGHTS

R. Ghiasi
Department of Chemistry, Basic Science Faculty, East Tehran Branch, Islamic Azad University
rezaghiasi1353@yahoo.com rghyasi@qdiau.ac.ir
Keywords: N-heterocyclic carbene nickel complexes, density functional theory (DFT), nucleus-independent chemical shift (NICS), natural bonding orbital (NBO), Atoms in Molecules (AIM) analysis
Pages: 376-380

Abstract >>
A series of N-heterocyclic carbene nickel complexes of the type [Ni(N-heterocylic carbene)(NO)(R)] (R = H, Me, HC=CH2, and C≡CH) are examined to study the influence of a substituent on the molecular structure and bonding of these complexes. Geometrical and AIM analyses of the interaction between Ni and the carbene fragment reveal that for the metal-carbene bond donation is more important than back-donation. The NICS values suggest that aromaticity in the heterocyclic ring is less than in the free heterocycle.



7235.
Prediction of the Enthalpy of Vaporization Based on modified RandiČ indices. ethers

E. L. Krasnykh, S. V. Portnova
Keywords: enthalpy of vaporization, topological index, connectivity index, ethers
Pages: 381-385

Abstract >>
A method to predict the enthalpies of vaporization of ethers with various structures under normal conditions using a modified Randič method is proposed



7236.
TEMPERATURE DEPENDENCE OF THE THERMODYNAMIC PARAMETERS OF COBALT(II) CLATHROCHELATE: X-RAY DIFFRACTION AND CALORIMETRIC CHARACTERISTICS OF THE LOW TEMPERATURE STRUCTURAL PHASE TRANSITION

I. E. Paukov, Y. A. Kovalevskaya, V. I. Ovcharenko, G. V. Romanenko, Y. Z. Voloshin
Keywords: cobalt(II), clathrochelates, low temperature calorimetry, heat capacity, phase transition
Pages: 386-390

Abstract >>
The temperature dependence of heat capacity of the polycrystalline sample of cobalt(II) clathrochelate in a range of 6-300 K is studied. Based on the smoothed dependence Cp(Т), the entropy and enthalpy values in a temperature range of 8-300 K and their standard values at 298.15 K are calculated. In the Cp(Т) curve in a range of 50-70 K, a process is recorded whose entropy and enthalpy are 1.2 J·(K·mol-1) and 68 J·mol-1 respectively. A comparison of the results with the data of a multitemperature X-ray diffraction study makes it possible to attribute this process to the structural phase transition.



7237.
CRYSTAL AND MOLECULAR STRUCTURE OF the COPPER(II) SCHIFF-BASE COMPLEX CONTAINING The AZO GROUP

L. D. Popov, S. I. Levchenkov, M. A. Kiskin, I. N. Shcherbakov, Y. P. Tupolova, O. V. Maevskii, V. A. Kogan
Keywords: Schiff bases, azomethines, azo ligands, copper(II) complexes, single crystal X-ray diffraction study
Pages: 391-394

Abstract >>
From 3-allyl salicylaldehyde and 4-aminoazobenzene (HL), the Schiff-base complex of copper(II) is synthesized and structurally characterized. The crystallographic unit of a CuL2 (1) single crystal contains two independent molecules of the complex. Coordination polyhedra of copper atoms are slightly distorted squares; azomethine ligands are in the trans-position. The neighboring molecules of the complex are bonded by intermolecular π stacking interactions



7238.
THE DOUBLE SALT TRIS(DIISOPROPYLAMMONIUM)TETRACHLORIDOFERRATE(III) DICHLORIDE: SYNTHESIS, CRYSTAL STRUCTURE, AND VIBRATIONAL SPECTRA

G.J. Reiss
Institut f. Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich- Heine-Universität Düsseldorf
reissg@uni-duesseldorf.de
Keywords: hydrogen bonding, diisopropylammonium, tetrachloridoferrate(III), graph-set, hybrid material
Pages: 400-403

Abstract >>
Tris(diisopropylammonium)tetrachloridoferrate(III) dichloride crystallizes in the monoclinic space group P21/c (a = 7.6685(2), b = 17.6079(3), c = 23.3217(4) Å, β = 91.396(2)°, V = 3148.1(1) Å3, Z = 4, T = 113 K) with three diisopropylammonium cations (dip), one tetrachloridoferrate(III) anion, and two chloride anions in the asymmetric unit. The dip cations and the chloride anions form hydrogen bonded one-dimensional polymers along [010]. The tetrachloridoferrate(III) anion, habituated in between these chains, is not involved in any hydrogen bonding. The structural characterization is supported by infrared and Raman spectroscopic data.



7239.
STRUCTURE OF A FRAMEWORK COORDINATION POLYMER Zn2(dmf)(H2O)(atc)]·0.75DMF·0.5H2O

M. S. Zavakhina, D. G. Samsonenko, M. P. Yutkin, D. N. Dybtsev, V. P. Fedin
Keywords: zinc, adamantane tetracarboxylic acid, crystal structure, coordination polymers, metal-organic frameworks
Pages: 404-407

Abstract >>
In the interaction of Zn(NO3)2·6H2O and adamantane-1,3,5,7-tetracarboxylic acid (H4atc) in N,N′-dimethyl formamide (DMF) a three-dimensional coordination polymer with the composition [Zn2(dmf)(H2O)(atc)]·0.75DMF·0.5H2O (1) is produced. Its structure is determined by a single crystal X-ray diffraction study



7240.
AN unusual conformation of 1,1′-dimethyl-isoindigo in crystals

Y. K. Voronina, D. B. Krivolapov, A. V. Bogdanov, V. F. Mironov, I. A. Litvinov
Keywords: The crystal and molecular structure of 1, 1?-dimethyl-isoindigo is studied by single crystal X-ray diffraction analysis. It is shown that the molecules of 1, 1?-dimethyl-isoindigo are nonplanar due to the rotation of two oxindole rings relative to the dou
Pages: 408-411




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