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Avtometriya

2012 year, number 1

7081.
Optimal Differentiators for the Algorithm of Orientation Estimation on the Basis of a Gradient Structure Tensor

I. S. Gruzman
Novosibirsk State Technical University
isgruzman@gmail.com
Keywords: optimal mask differentiating filters, gradient structure tensor
Pages: 3-11

Abstract >>
A method of constructing optimal mask differentiating filters minimizing the level of the root-mean-square or systematic error of estimation of the anisotropic structure orientation observed in the presence of additive white noise is proposed. Results of a comparative analysis of the accuracy of gradient algorithms are presented. It is demonstrated that the use of optimal differentiating filters substantially increases the accuracy of the orientation estimation algorithm.



7082.
Construction of Wavelet Filtration Algorithms with Two-Parameter Threshold Functions

Y. E. Voskoboinikov1, A. V. Gochakov2
1 Novosibirsk State University of Architecture and Civil Engineering
2 Novosibirsk State University of Architecture and Civil Engineering Siberian Regional Hydrometeorological Institute
voscob@mail.ru, don@pogoda.nsk.su wandering@mail.ru
Keywords: wavelet filtration, threshold functions, optimal threshold value
Pages: 12-22

Abstract >>
A class of wavelet filtration algorithms with two-parameter threshold functions is considered. An algorithm is proposed for solving the problem of choosing two threshold values, which allows estimating their optimal values with acceptable accuracy.



7083.
Detection of Small-Size Dynamic Objects by a Moving Observation System

S. M. Borzov1, O. I. Potaturkin2
1 Institute of Automation and Electrometry, Siberian Branch, Russian Academy of Sciences
2 Institute of Automation and Electrometry, Siberian Branch, Russian Academy of Sciences Novosibirsk State University
borzov@iae.nsk.su, potaturkin@iae.nsk.su
Keywords: search for dynamic objects, small-size objects, video sequence, background compensation
Pages: 23-29

Abstract >>
The use of the algorithm of real-time determination of local displacements of fragments (blocks) with due allowance for spatial and temporal coupling of motion is proposed for estimating the background component during detecting small-size dynamic objects (in the case of unknown motion of the observation system). The efficiency of this method is compared with that of the methods based on affine transformations of the image as a whole. It is demonstrated that this method is more efficient and ensures background suppression in the difference frame under the condition that it is presented by large zones deforming or displacing relative to each other.



7084.
Compression of Information Generated by an Unknown Memoryless Source by Nonequivalent Symbols

V. K. Trofimov, T. V. Khramova
Siberian State University of Telecommunications and Informatics
trofimov@sibsutis.ru, tvkhramova@gmail.com
Keywords: entropy, coding, coding cost, source of messages
Pages: 30-44

Abstract >>
For information generated by an unknown memoryless source, a compression method using nonequivalent symbols is proposed and its optimality is proved.



7085.
Comparison of Empirical and Theoretical Distribution Functions of a Random Variable on the Basis of a Nonparametric Classifier

A. V. Lapko1, V. A. Lapko2
1 Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences
2 Institute of Computational Modeling, Siberian Branch, Russian Academy of Sciences Reshetnev Siberian State Aerospace University
Keywords: nonparametric statistics, pattern recognition, testing of statistical hypotheses, distribution of random variables, Kolmogorov's test
Pages: 44-50

Abstract >>
A possibility of using nonparametric algorithms of pattern recognition in the problem of comparing empirical and theoretical distribution functions of random variables is considered. Results of computational experiments are analyzed.



7086.
Superresolution in Surveillance Systems with an Antenna Array for Synthesis of Images of the Earth Surface

V. K. Klochko
Ryazan' State Radio-Engineering University
KlochkoVK@mail.ru
Keywords: superresolution, antenna array, reconstruction of radio-location and radio-thermal-location images
Pages: 50-55

Abstract >>
A method that ensures superresolution in terms of angular coordinates in surveillance systems with a flat antenna array during synthesis of radio-location and radio-thermal-location images of the Earth surface with the help of an airborne station in the real beam mode is proposed. This method is based on reconstruction of reflection and emission fields.



7087.
Identification of Linear Regression Models in the Presence of Errors in Input and Output Data

T. A. Makarova1, A. N. Tyrsin2
1 Chelyabinsk State University
2 Scientific-Engineering Center Reliability and Life of Large Systems and Machines, Ural Branch, Russian Academy of Science
toma.makarova@gmail.com
Keywords: regression models, errors in input data, Monte Carlo statistical modeling
Pages: 56-62

Abstract >>
The problem of constructing linear regression models in the presence of errors in input and output data is considered. A statistical test for detecting measurement errors in input data is proposed that does not require a preliminary consistent estimation of the coefficients under the assumption of the presence of errors. The test is validated by Monte-Carlo statistical simulation.



7088.
Identification of Fuzzy Systems Using a Continuous Ant Colony Algorithm

I. A. Khodashinskii, P. A. Dudin
Tomsk State University of Control Systems and Radio Electronics
Keywords: identification, fuzzy systems, continuous ant colony algorithm
Pages: 63-71

Abstract >>
A continuous ant colony algorithm is first proposed to identify fuzzy systems. It is used to construct five fuzzy systems to approximate nonlinear functions of one, two, and three variables. The effect of algorithm parameters on the approximation error is studied. A comparative analysis with other identification algorithms showed an advantage of the proposed algorithm.



7089.
Graphics Processors in Problems of Electron Tomography

E. V. Pustovalov, O. V. Voitenko, B. N. Grudin, V. S. Plotnikov
Far Eastern Federal University
pust@lemoi.phys.dvgu.ru, voitenko@lemoi.phys.dvgu.ru, grudin@lemoi.phys.dvgu.ru, plotnikov@lemoi.phys.dvgu.ru
Keywords: electron tomography, graphics processors, image filtering
Pages: 72-79

Abstract >>
Algorithms were developed for the tomographic reconstruction of structure from microscopic images using graphics processors of general application. The effect of noise and the choice of reconstruction filters for tomographic problems in materials science is investigated. It is shown that the use of ρ-filtration in reconstruction allows one to estimate the geometrical characteristics of threedimensional microstructures in amorphous metal alloys.



7090.
Guidance Algorithm for an Autonomous Unmanned Underwater Vehicle to a Given Target

I. N. Burdinsky
Pacific National University
igor burdinsky@mail.ru
Keywords: autonomous unmanned underwater vehicle, positioning, acoustic data, image processing
Pages: 80-86

Abstract >>
One possible variant of solving the problem of guidance of an autonomous unmanned underwater vehicle to a given target is considered. At large distances, navigation is based on measuring the time of propagation of acoustic signals. Short-range positioning is ensured by processing images taken by an optical camera. PID control is applied as an algorithm controlling the vehicle position and attitude in space. The proposed algorithm is implemented as a computer code and tested in a series of numerical experiments.



7091.
Optical Control of the Radius of a Wheel Rolling on a Rail

Y. N. Dubnishchev1, P. Y. Belousov1, O. P. Belousova2, V. V. Sotnikov1
1 Kutateladze Institute of Thermophysics, Siberian Branch, Russian Academy of Sciences Technological Design Institute of Scientific Instrument Engineering, Siberian Branch, Russian Academy of Sciences Novosibirsk State Technical University
2 Technological Design Institute of Scientific Instrument Engineering, Siberian Branch, Russian Academy of Sciences
dubnistchev@itp.nsc.ru, pyabelousov@ngs.ru, pyabelousov@ngs.ru, sotnokov@itp.nsc.ru
Keywords: wheel radius, slip velocity, laser Doppler velocimeter, rail transport wheel control
Pages: 87-94

Abstract >>
An optical method for measuring the geometric radius and velocity of slip of a wheel rolling on a rail is discussed.



7092.
Experimental Studies of Infrared Photodetector Arrays for Detection of Small Objects

A. N. Galyantich1, I. S. Gibin2, V. V. Zolotsev1, M. V. Kiselev1, G. V. Kolesnikov3
1 Branch of Yalamov Ural Optical and Mechanical Plant Ural SibNIIOS
2 Institute of Automation and Electrometry, Siberian Branch, Russian Academy of Sciences
3 Novosibirsk State Technical University
gibin@iae.nsk.su, z_w_w@mail.ru
Keywords: black body, photodetector array, experimental bench, test object, contrast, detection system
Pages: 95-101

Abstract >>
This paper presents the results of experimental studies of staring infrared photodetector arrays (PDAs) designed for use in object recognition systems. A special bench was developed to determine the threshold sensitivity of PDAs to spot irradiation, i.e., the minimum excess of the signal power over the background with allowance for the measuring path and its performance. Estimations were made of the root-mean-square (RMS) noise of the PDA element which determines the detection threshold of the excess of the radiation power of an object over the background in the plane of the entrance pupil.



7093.
Laser Illuminator Based on Diffraction Elements for Training Systems

N. Y. Nikanorov1, A. G. Poleshchuk2, A. R. Sametov2
1 JSC Production Association "Novosibirsk Instrument-Making Plant,"
2 Institute of Automation and Electrometry, Siberian Branch, Russian Academy of Sciences
distorsya@ngs.ru, poleshchuk@iae.nsk.su, sametov@iae.nsk.su
Keywords: diffractive optical element, simulator, formation of laser radiation
Pages: 102-108

Abstract >>
The use of a diffractive optical element (DOE) in the optical scheme of a laser illuminator of a shooting simulator exposing the target is studied. It is proposed to use the DOE in the optical projection system to form a laser beam with a special intensity profile. The use of the DOE with binary amplitude transmission allows simplification of the manufacture of this block with simultaneous improvement of its performance. The DOE is used as a diffraction attenuator of laser radiation with a period of 2.5 µm and a minimum bandwidth of about 0.8 µm. Results of an experimental study of the laser radiation distribution generated using the DOE and its comparison with distribution of radiation obtained in the usual way are presented.



7094.
Spectral Asymmetry of Narrow Reflection Band of an Interference Filter

N. D. Goldina
Institute of Laser Physics, Siberian Branch, Russian Academy of Sciences
ngold@laser.nsc.ru
Keywords: thin metal layer, multi-layer coating, optical reflection filter
Pages: 109-113

Abstract >>
A method for controlling the asymmetry sign of the spectral intensity of light reflected from a narrow-band filter by fitting the dielectric layer thickness adjacent to the thin metal layer is proposed.



7095.
Features of Using Multi-Element Converters in Anisotropic Acousto-Optic Bragg Cells

S. V. Zavarin, E. L. Nikishin
Saratov State Technical University
piezon@yandex.ru, nilel55@rambler.ru
Keywords: acousto-optic Bragg cell, anisotropic light diffraction, multi-element piezoelectric converter
Pages: 114-119

Abstract >>
The geometry of anisotropic light diffraction in ultrasound waves excited by a multi-element converter in an optically uniaxial negative crystal of lithium niobate is analyzed. An expression for the refractive index of a diffracted wave was found on the basis of a study of the optical indicatrices of the refractive indices of ordinary and extraordinary light waves in the crystal. A method for calculating the angular frequency characteristics of anisotropic acousto-optic Bragg cells with multi-element converters is proposed.



7096.
Effect of Oxide Layer Roughness and Thickness on Spectral Dependence of Optical Parameters of Copper Mirrors

L. Y. Mel'nichenko, L. V. Poperenko, I. A. Shaikevich
Taras Shevchenko National University of Kyiv
lmeln@ukr.net, plv@univ.kiev.ua, shaykevi@univ.net.ua
Keywords: surface roughness, surface oxide layer, ellipsometry, optical constants, massive copper mirrors
Pages: 120-123

Abstract >>
Two copper mirrors with different surface roughness are studied by means of spectroscopic ellipsometry. It is established that spectral dependences of optical conductivity are qualitatively similar, but shifted along the ordinate, and some of their peaks may be related to light absorption by the surface oxide layer.



7097.
Numerical Modeling of GaAs Field-Effect Transistor Characteristics as Functions of Channel Doping Profile Parameters

A. K. Shestakov, K. S. Zhuravlev
Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences
shestakov@thermo.isp.nsc.ru, zhur@thermo.isp.nsc.ru
Keywords: FET, modeling, ion implantation
Pages: 124-128

Abstract >>
Gallium arsenide ion-doped field-effect transistors with a Schottky barrier and various doping profiles are modeled. Dependences of static transistor characteristics on doping profile parameters are calculated and analyzed. The physical processes that determine the transistor characteristics with variation in doping profile parameters are studied.



Contemporary Problems of Ecology

2012 year, number 2

7098.
Polymorphism and Structure of Siberian Spruce (Picea obovata Ledeb.) Populations at the Northern Limits of the Species Distribution

I. Y. Koropachinskiy, O. N. Potemkin, A. V. Rudikovskiy, E. V. Kuznetsova
Keywords: Siberian spruce, area, marginal populations, plant variation
Pages: 175-184

Abstract >>
Polymorphism of the main morphological characteristics used in species diagnostics was studied at the northern limits of Siberian spruce (Picea obovata Ledeb.) habitation. The analysis of population structure was performed. The results were compared with the characteristics of spruces from the central regions of the area. The data obtained permit making the conclusions about population structure and a pattern of Siberian spruce variation within the area.



7099.
Dynamics of the Range of Absinthe Genus over the Territory of West Siberia and Adjacent Regions in Holocene on the Basis of the Data of Pollen Analysis in Connection with Climate Change

T. A. Blyakharchuk, V. P. Amel'chenko
Keywords: sporo-pollen analysis, range, vegetation, Holocene, dynamics of vegetation, papaeoclimate
Pages: 185-196

Abstract >>
Reconstruction of the dynаmics of the range of Artemisia genus was carried out with the help of palynoareological method on the basis of the data of 97 pollen diagrams from the territory of West Siberia and the Altay-Sayan mountainous region over the millennial time sections since the Late Glacial time till the present time. It was revealed that the maximal spread of the absinthe steppe communities (probably of the cryoarid pattern) occurred at the territory under examination 13-10 thousand years ago. After the time point of 9 thousand years ago, a fundamental change of the landscapes of West Siberia occurred, which resulted in the decomposition of previously continuous absinthe steppe cover into separate blocks. Since 8 thousand years ago, the absinthe steppe communities of modern appearance occupied the zone of modern steppe and forest-steppe of West Siberia and Northern Kazakhstan, while over the taiga zone the absinthe communities were spread occasionally under the extrazonal conditions and as the pioneering plant groupings on affected soil. Since the time point of 4 thousand years ago till the present time, the northern boundary of the steppe zone underwent pulsing shifts to the north and back, and also broadening and narrowing of isolated steppe islands took place. At present, we observe an increase in the role of absinthe plants in the tundra zone of West Siberia and in the Altay mountains.



7100.
Morphological and Anatomic Features of the Underground Organs of Angiosperm Perennials Growing Under the Extreme Environmental Conditions

L. G. Tarshis, G. I. Tarshis, L. M. Morozova, S. N. Ektova, M. Sobotik
Keywords: аdaptation, anatomic and morphological features, underground organs, roots, rhizomes, Magnoliophyta
Pages: 197-204

Abstract >>
Morphological and anatomic features of underground bodies of 12 species of Magnoliophyta plants growing in the tundra of the Yamal peninsula are revealed. The structural attributes of roots and rhizomes used for their identification and important for understanding of adaptation of species to extreme conditions are determined.



7101.
State of Tree Stands and Undergrowth of Virgin Spruce Forests in the Forest-Tundra of the Pechora Dasin

K. S. Bobkova, A. V. Manov
Keywords: forest-tundra, virgin spruce forest, tree stand, undergrowth, vital state
Pages: 205-212

Abstract >>
Tree plants in ten types of forest-tundra virgin spruce phytocenoses were studied for the purpose of revealing the factors that determine their vital state.



7102.
Distinguishing Features of Physiognomical Indices of Woody Plants Under the Conditions of Industrial Cities Ust'-Kamenogorsk and Zyryanovsk in the Republic of Kazakhstan

M. B. Duzbaeva, M. S. Panin
Keywords: physiognomical reactions, chlorosis, necrosis, tree crown scarcity, functionаl state of green plantations, biogeochemical endemicity
Pages: 213-219

Abstract >>
Comparative characterization of the response physiognomical reactions (classes of chloroses, necroses and crown scarcity) of woody plants in the industrial cities Ust-Kamenogorsk and Zyryanovsk is given. The regularities were revealed in the changes of the functional state of green plantations depending on the degree of greenery planting, species composition and structure of plantations, sanitary and hygienic care, the amount of poolutants entering the atmosphere, and city scale.



7103.
Use of Equivalenсe Classes and Factor-Sets in the Analysis of Botanic Data

A. A. Zverev
Keywords: factor set, ecological scales, phytoindication, gradient anаlysis, IBIS system
Pages: 221-230

Abstract >>
The concept of equivalence classes and factor-sets, known from ensemble theory, is introduced in application to the theory and practice of botanical investigations. The properties of taxonomic, typological and gradient factor-sets and their connection with the comparative floristic and phytoindicative analysis are considered. Upsized groups of regimes for 10 ecological factors of D. N. Tsyganov's phytoindicative scales are proposed. Computer realization of processing the data on plant cover with the help of factor-sets in the integrated botanical information information system IBIS is described.



7104.
Features of the Successions of Vegetation in the Man-Disturbed Landscapes (for South-Eastern Belarus as Example)

A. P. Gusev
Keywords: vegetation, succession, stage, landscape, synanthropization, anthropogenic disturbance, Belarus
Pages: 231-236

Abstract >>
Features of progressive successions in the landscapes with different levels of anthropogenic transformation (the southeast of Belarus) are considered. The comparative analysis of succession characteristics in weakly and strongly disturbed landscapes is performed. It is established that succession in strongly disturbed landscape differs by the slower speed of changes of the vegetation and essential delay at early stages (including initial stages). Strongly disturbed landscapes are characterized by the high degree of synanthropization and a significant level of invasion at all the stages of succession.



2012 year, number 1

7105.
ARCHITECTURE OF FRAMEWORK COPPER(I) HALIDE π-COMPLEXES WITH N-ALLYL-N,N,N′,N′-TETRAMETHYLETHYLENEDIAMINIUM AND N,N′-DIALLYL-N,N,N′,N′-TETRAMETHYLETHYLENEDIAMINIUM: SYNTHESIS AND CRYSTAL STRUCTURE OF [{C2H4N2(H+)× (CH3)4(C3H5)} Cu4Cl6] AND [{C2H4N2(CH3)4(C3H5)2}0.5Cu2Cl1.67Br1.33]

M. M. Monchak, E. A. Goreshnik, M. G. Mys'kiv
Keywords: copper(I), allyl derivatives of N, N, N?, N?-tetramethylethylenediamine, π-complexes, copper halide fragments, crystal structure
Pages: 124-129

Abstract >>
N,N,N′,N′-tetramethylethylenediamine is obtained by the reaction of ethylenediamine with formaldehyde and formic acid (the Eschweiler-Clarke reaction) and then alkylated with allyl chloride (or bromide) in a ratio of 1:1 or 1:2 to obtain N-allyl-N,N,N′,N′-tetramethylethylenediaminium and N,N′-diallyl-N,N,N′,N′-tetramethylethylenediaminium bromide respectively. [{C2H4N2(H+)(CH3)4(C3H5)}Cu4Cl6] (1) and [{C2H4N2(CH3)4(C3H5)2}0.5Cu2Cl1.67Br1.33] (2) π-complexes are obtained from alcohol solutions containing an ethylenediamine derivative and copper(II) chloride by ac-electrochemical synthesis on copper wire electrodes. An XRD study of the complexes is carried out. The crystals are monoclinic; 1: P21/n space group, a = 9.0081(6) Å, b = 12.5608(7) Å, c = 16.8610(10) Å, β = 102.061(3)°, V = 1865.7(2) Å3, Z = 4; 2: С2/с space group, a = 14.462(2) Å, b = 12.519(1) Å, c = 12.762(2) Å, β = 107.861(5)°, V = 2199.1(4) Å3, Z = 8. The structure of 1 consists of infinite copper halide networks with four crystallographically independent copper atoms, one of which coordinates the double bond of the allyl group of the ligand. The [C2H4N2(H)(CH3)4(C3H5)]2+ cations are attached above and below the plane of the network. The individual fragments are bonded via an extensive system of (N)H…Cl and (C)H…Cl hydrogen bonds. The structure of 2 contains a three-dimensional copper halide framework whose cavities contain the [C2H4N2(CH3)4(C3H5)2]2+ cations that are π-coordinated with copper(I) atoms. In both structures, the Cu(I) atom that coordinates the С=С bond has a trigonal-pyramidal coordination environment consisting of the double С=С bond of the corresponding ligand and three halogen atoms. The other Cu(I) atoms have a tetrahedral environment consisting solely of halogen atoms. The Cu-(C=C) distance is 1.958(1) Å (1) and 1.974(1) Å (2).



7106.
CRYSTAL STRUCTURES OF RHODIUM(III) AQUA ION WITH TETRAHEDRAL ANIONS

S. N. Vorob'eva, I. A. Baidina, A. V. Belyaev, N. I. Alferova
Keywords: rhodium, aqua ion, coordination compounds, crystal structure
Pages: 130-136

Abstract >>
The crystal structures of compounds of the composition [Rh(H2O)6]2(SO4)3·5H2O (I) and [Rh(H2O)6]PO4 (II) are determined. Crystallographic data for I: a = 7.272(9) Å, b = 27.047(1) Å, c = 12.464(9) Å, β = 97.038(10)°, P21 space group, Z = 4, dx = 2.184 g/cm3; for II: a = 9.746(6) Å, b = 6.877(7) Å, c = 23.623(6) Å, β = 100.601(10)°, C2/c space group, Z = 8, dx = 2.611 g/cm3. Compounds are analyzed by IR spectroscopy and powder XRD. Crystalline phase I is well soluble in water, whereas II is almost insoluble.



7107.
CRYSTAL STRUCTURES OF TRANS-[Re6S8(CN)2L4] COMPLEXES, L = PYRIDINE OR 4-METHYLPYRIDINE

A. Y. Ledneva, N. G. Naumov, A. V. Virovets, S. Cordier, Y. Molard
Keywords: rhenium, octahedral cluster, crystal structure, stacking interactions, topological packing analysis
Pages: 137-141

Abstract >>
The structures of three novel octahedral rhenium cluster compounds [Re6S8(CN)2(py)4]·H2O (1), [Re6S8(CN)2(4-Mepy)4] (2), [Re6S8(CN)2(4-Mepy)4]·4-Mepy (3) (py = pyridine, 4-Mepy = 4-methylpyridine) are determined by X-ray crystallography. Crystal data are: C2/m space group, a = 14.813(1) Å, b = 14.772(1) Å, с = 9.2122(6) Å, β = 119.085(2)°, V = 1761.7(2) Å3, dx = 3.318 g/cm3, R = 0.0585 (1); I41/amd space group, a = 16.0018(3) Å, c = 14.7186(5) Å, V = 3768.81(16) Å3, dx = 3.169 g/cm3, R = 0.0489 (2); P21/c space group, a = 9.0452(4) Å, b = 15.8065(7) Å, c = 15.2951(6) Å, β = 103.700(2)°, V = 2124.57(16) Å3, dx = 2.957 g/cm3, R = 0.0245 (3). Molecular cluster complexes interact via π-π stacking affording 3D frameworks in 1 and 2 and chains in 3.



7108.
CRYSTAL STRUCTURE OF [CuL](NO3)(ReO4) AND [CuL](ReO4)2 (L = 4,6,6-TRIMETHYL-1,9-DIAMINО-3,7-DIAZANON-3-EN)

E. A. Bykova, S. P. Khranenko, E. Y. Semitut, S. A. Gromilov
Keywords: copper, rhenium, crystal chemistry, single crystal X-ray diffraction, thermal studies
Pages: 142-149

Abstract >>
The crystal structures of [CuL](NO3)(ReO4) and [CuL](ReO4)2 (L is 4,6,6-trimethyl-1,9-diamino-3,7-diazanon-3-en) are studied. The square coordination of the copper atom in [CuL](NO3)(ReO4) is completed to a distorted octahedron by two oxygen atoms: Cu…O 2.393 Å and Cu…O 2.685 Å, and that in [CuL](ReO4)2, by Cu…O 2.468 Å and 2.697 Å. The products of thermolysis of the salts in a hydrogen atmosphere at 800°C are mixtures of nanocrystalline metal powders with coherent scattering regions of ~45 nm.



7109.
A SINGLE CRYSTAL X-RAY STUDY OF THE PRODUCTS OF HALOGEN MERCURY CYCLIZATION OF 8-ALLYLTHIOQUINOLINE

P. A. Slepukhin, V. I. Batalov, D. G. Kim, V. N. Charushin
Keywords: 8-allylthioquinoline, mercury halides, halogen mercury cyclization, organomercury compounds, salts of 3-(halogen-mercurimethyl)-2, 3-dihydro[1, 4]thiazino[2, 3, 4-ij]quinolinium
Pages: 149-154

Abstract >>
The reaction products of 8-allylthioquinoline with mercury halides are studied by single crystal X-ray diffraction. It is shown that the products are organomercury derivatives of salts of 2,3-dihydro[1,4]-thiazino[2,3,4-ij]quinoliniuim



7110.
CRYSTAL STRUCTURES OF [Hg(N-ETHYLTHIOUREA)2(CN)2] AND [Hg(N-PROPYLTHIOUREA)2(CN)2]

H. Sadaf, S. Ahmad, S. Sharif, I.U. Khan, M. Akkurt, S.W. Ng, M.I. Khan, S.A. Bashir, M. Mufakkar
Keywords: mercury(II) cyanide, N-ethylthiourea, N-propylthiourea, X-ray structures
Pages: 155-159

Abstract >>
Two mercury(II) cyanide complexes of N-ethylthiourea (Ettu) and N-propylthiourea (Prtu) ligands, [Hg(Ettu)2(CN)2] (1) and [Hg(Prtu)2(CN)2] (2), were prepared and their crystal structures were determined by X-ray crystallography. In both structures, the mercury atom is coordinated to two sulfur atoms of thioureas and two cyanide carbon atoms in a pseudo-tetrahedral mode with the bond angles in the range of 90.52(11)-162.2(3)°. The structures are stabilized by N-H---S, N-H---N, and C-H---N intramolecular and intermolecular hydrogen bonds.



7111.
INFLUENCE OF HYDROGEN BONDS ON THE MOLECULAR STRUCTURE AND CONFORMATIONS OF TWO (C30H48O2) PENTACYCLIC TRITERPENE ISOMERS

R.S. Corr??a, S.R. Souza e silva, L.P. Duarte, G.D.F. Silva, L.C.A. Barbosa, J. Ellena, A.C. Doriguetto
Keywords: Maytenus imbricata, pentacyclic triterpene, crystal structure, molecular conformation, static disorder, hydrogen bond
Pages: 160-166

Abstract >>
The structural study of two (C30H48O2) pentacyclic triterpene (PCTT) isomers is presented. These terpenes, known as 30-hydroxy-lup-20(29)-en-3-one (1) and (11α)-11-hydroxy-lup-20(29)-en-3-one (2), were isolated from Maytenus imbricata Mart. Ex Reissek (Celastraceae). The molecular structure of 1 and 2 differs in the position of the hydroxyl group. Both compounds crystallize in non-centrosymmetric space groups with two molecules in the asymmetric unit. The crystal structure of 1 shows a triclinic P1 space group (a = 9.5518(1) Å, b = 9.7083(1) Å, c = 14.4696(2) Å, α = 93.832(1)°, β = 102.833(1)° and γ = 103.307(1)°), while compound 2 crystallizes in a monoclinic P21 one (a = 13.4439(16) Å, b = 14.4463(14) Å, c = 13.5224(9) Å and β = 99.703(8)°). The two molecules independent by symmetry of 1 differ slightly due to the presence of static disorder in oxygen atoms. In addition, the intermolecular geometries of 1 and 2 were analysed, and in each isomer the crystal packing is stabilized by O-H⋯O intermolecular hydrogen bonds and van der Waals forces.



7112.
FEATURES OF THE BEHAVIOR OF 5-SUBSTITUTED N(3)-ACYL-4,6-DIARYL-3,4-DIHYDROPYRIMIDIN-2(1Н)-ONES UNDER ELECTRON IONIZATION

V. F. Sedova, L. M. Pokrovskii, O. P. Shkurko
Keywords: mass spectra, dissociative ionization, elimination, 3, 4-dihydropyrimidin-2-ones, N(3)-acyl-3, 4-dihydropyrimidin-2-ones
Pages: 167-175

Abstract >>
Mass spectra of 5-substituted N(3)-acyl-4,6-diaryl-3,4-dihydropyrimidin-2(1H)-ones are studied. The features of the dissociative ionization of their molecular ions, which occurs with ketene elimination from the acyl group, are revealed. The subsequent fragmentation of fragment ions proceeds according to the rules established for pyrimidin-2(1H)-one derivatives.



7113.
HYDRATION NUMBERS OF α-ALANINE IN AN AQUEOUS UREA SOLUTION

V. P. Korolev
Keywords: urea, alanine, aqueous solutions, partial volumes, hydration numbers
Pages: 176-180

Abstract >>
Literature data on the apparent molar volumes φ of alanine in water and aqueous urea solutions at 298 K are analyzed. It is shown that the slope of the φ dependence on the alanine concentration is not dependent on the urea concentration. The standard partial volume of alanine increases linearly with the increase in the urea concentration (wt.%). The structural characteristics of hydrated complexes of alanine (hydration number, molar volume of water inside and outside the hydration sphere, and proper volume of alanine in solution) are given. The hydration number of alanine decreases by a factor of two in passing from water to a saturated (20m) urea solution. The effects of urea additions on the hydration numbers of alanine and glycine are compared.



7114.
A 2D BITRIAZOLE-BRIDGING COPPER(II) POLYMER: HYDRO THERMAL SYNTHESIS, CRYSTAL STRUCTURE, AND FLUORESCENCE

L. Xu, X.-CH. Zhang, W.-G. Liu, B. Liu
Keywords: copper(II), crystal structure, fluorescence, 1, 2, 4-triazole
Pages: 181-185

Abstract >>
A new 2D metal-organic coordination polymer [Cu(trtr)2]n (1) (Htrtr = 3-(1,2,4-triazolyl-4-yl)-1H-1,2,4-triazole) is synthesized through the hydrothermal reaction of Cu(ClO4)2 with Htrtr. The crystal structure of 1 is determined by a direct method from X-ray diffraction data (Rigaku Mercury CCD, MoKα radiation). 1 crystallizes in the monoclinic C2/c space group with unit cell parameters: a = 14.158(2) Å, b = 9.8050(14) Å, c = 11.413(3) Å, β = 127.9870(10)°, v = 1248.7(4) Å3, z = 4, Dcal = 1.775 g/cm3. 1 features a 2D grid based on the propagation of 28-membered rings, which is further fabricated into a 3D supramolecular framework via the hydrogen bond linkage. The fluorescence of 1 shows a blue emission at 441 nm with a 14 nm red-shift compared to that of free Htrtr, which can be assigned to LMCT.



7115.
[Ni(en)3](ReO4)2: SYNTHESIS, CRYSTAL STRUCTURE AND THERMAL PROPERTIES

E. A. Bykova, S. P. Khranenko, S. A. Gromilov
Keywords: nickel, rhenium, ethylenediamine, thermolysis, crystal chemistry, single crystal X-ray diffraction
Pages: 186-190

Abstract >>
The crystal structure of [Ni(en)3](ReO4)2 (en is ethylenediamine) is studied: a = 8.3997(2)Å, b = 15.6167(5) Å, c = 14.2406(4) Å, β = 100.378(1)°, V = 1837.46(9) Å3, P21/c space group, Z = 4, and dx = 2.673 g/cm3. It is shown that packing of the complex cations can be considered as single-layer pseudohexagonal. Thermal decomposition of the salt in a hydrogen atmosphere at 550°C is used to obtain a mixture of nickel with a nanocrystalline Re0.87Ni0.13 solid solution (a = 2.733(2) Å, c = 4.400(3) Å, Р63/mmc space group; CSR size is ~14 nm).



7116.
STRUCTURE OF TETRA(3,5-DINITROBENZOATE) BIS(PIPERIDINE) HEXAAQUANICKEL(II) -[Ni(OH2)6](PipH)2(3,5-DNB)4·2H2O DIHYDRATE

É. B. Miminoshvili, K. É. Miminoshvili, T. N. Sakvarelidze
Keywords: complex compounds, synthesis, structural analysis, transition metals, piperidine, dinitrobenzoate
Pages: 191-195

Abstract >>
It is found that M(AmH)2(3,5-DNB)4·8H2O compounds (where M(II) = Co, Ni; AmH is piperidine PipH = (C5H10NH2)+ or diethylamine DaH = (C4H10NH2)+ cations; 3,5-DNB = (C7H3N2O6)- is the dinitrobenzoic acid anion) are isotypic. The structure of the Ni(PipH)2(3,5-DNB)4·8H2O single crystal is studied. The crystals have a monoclinic system, P21/n space group, Z = 2, a = 6.7694(3) Å, b = 16.0746(6) Å, c = 23.1250(9) Å, β = 97.794(1)°, V = 2493.1(2) Å3, T = 153 K. The final value R(F) = 0.0407 was obtained for 8191 independent reflections with I > 2σ(I). The structural units of the compound studied are as follows: [Ni(OH2)6]2+ complex hexaaquacation, two (PipH)+ cations, four (3,5-DNB)- anions, and two molecules of water of crystallization with the structural formula [Ni(OH2)6](PipH)2(3,5-DNB)4·2H2O. Similar compounds of Ni(II) and Co(II) are isostructural.



7117.
CRYSTAL AND MOLECULAR STRUCTURE OF THE COMPLEX OF 2-(1-SILATRANYLMETHYLTHIO)-4,5-BENZO-1,3-THIAZOLE WITH СоСl2 AND MeCN

M. G. Voronkov, É. A. Zel'bst, A. D. Vasiliev, A. S. Soldatenko, Y. I. Bolgova, O. M. Trofimova
Keywords: 2-(1-silatranylmethylthio)-4, 5-benzo-1, 3-thiazole, acetonitrile, molecular structure, single crystal X-ray diffraction analysis
Pages: 196-199

Abstract >>
The crystal and molecular structure of the complex of 2-(1-silatranylmethylthio)-4,5-benzo-1,3-thiazole with СоСl2 and MeCN (I) is determined by single crystal X-ray diffraction. The geometry of the silatranylmethyl moiety in complex I is compared to the geometry of 1-(2′-benzthiazolylthiomethyl)silatrane. Molecular packing in the crystal is analyzed.



7118.
CRYSTAL STRUCTURES OF TWO SOLVATES OF MOLYBDENUM OCTAHEDRAL CLUSTERS: (Bu4N)2[Mo6Cl8(O3SC6H4CH3)6]·2CH3CN AND (Bu4N)2[Mo6Cl8(O3SC6H4CH3)6]·2CH2Cl2

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Keywords: clusters, molybdenum, chlorides, p-toluenesulfonates, crystal structures, solvates
Pages: 200-204

Abstract >>
Crystal structures of two solvates (Bu4N)2[Mo6Cl8(O3SC6H4CH3)6]·2CH3CN (1) and (Bu4N)2[Mo6Cl8(O3SC6H4CH3)6]·2CH2Cl2 (2) are determined. Both compounds contain cluster [Mo6Cl8(O3SC6H4CH3)6]2- anions. Molybdenum atoms are coordinated with monodentate carboxylate ligands (Mo-O 2.101(3)-2.110(3) Å in 1; 2.088(7)-2.109(2) Å in 2).



7119.
MOLECULAR and CRYSTAL STRUCTURE of 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen -2-YL)butane-1,3-dione

A. M. Magerramov, R. A. Alieva, V. I. Mardanova, F. M. Chyragov, A. V. Kurbanov, K. A. Potekhin
Keywords: single crystal X-ray diffraction, crystal structure, ?-diketone, 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen-2-yl)butane-1, 3-dione
Pages: 205-208

Abstract >>
Single crystal X-ray diffraction is used to determine the crystal and molecular structure of 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen-2-yl)butane-1,3-dione. Crystallographic data for C14H8F4N2O2S are as follows: a = 8.2723(6) Å, b = 9.3009(7) Å, c = 9.9895(7) Å; α = 79.224(2)°, β = 75.851(2)°, γ = 72.337(2)°. Triclinic crystal system, P-1 space group, dx = 1.622 g/cm3, V = 704.83(9) Å3, μ = 0.286 mm-1, crystal size 0.30×0.20×0.20 mm, R1 = 0.0891, wR2 = 0.1989.



7120.
CRYSTAL STRUCTURE of (2,2-DIMETHYL-3-METHYLIDENENORBONANE)TRIETHYL-PHOSPHONIUM PERCHLORATE

V. A. Zagumennov, N. A. Sizova, O. A. Lodochnikova, I. A. Litvinov
Keywords: Single crystal XRD is used to analyze the crystal structure of triethylcamphenylphosphonium salt produced during the electrochemical oxidation of triethylphosphine in the presence of camphene, single crystal XRD, phosphonium salts, terpenes, camphene, tri
Pages: 209-211




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