Библиотека института физики им. Л.В. Киренского СО РАН

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Каталог книг и брошюр библиотеки ИФ СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin, Sergey N., Sterkhova I. V., Atuchin V. V.
Заглавие : The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : Polyhedron: PERGAMON-ELSEVIER SCIENCE LTD, 2015. - Vol. 85. - P.493-498. - ISSN 0277-5387, DOI 10.1016/j.poly.2014.09.011
Примечания : Cited References:42. - The study has been carried out within the public task of the Ministry ofEducation and Science of the Russian Federation for research engineeringat the Siberian Federal University in 2014. V.V.A. is partly supportedby the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
HYDROGEN-BOND
DIFFRACTION
THIOBARBITURATE
CHEMISTRY
NETWORKS
SPECTRA
SERIES
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--alkali ions--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: Three new complexes of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, HDETBA) with Li+, Na+, K+ alkali ions were synthesized. The complexes have been prepared by neutralization of 1,3-diethyl-2-thiobarbituric acid with the corresponding metal hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compounds of MDETBA with M = Li and M = Na crystallize in the monoclinic lattice with a = 10.678(1) Å, b = 7.2687(9) Å, c = 13.202(2) Å, β = 108.841(2)°, Z = 4, V = 969.8(2) Å3, S.G. P21/n and a = 10.534(2) Å, b = 7.604(1) Å, c = 14.186(1) Å, β = 108.964(4)°, Z = 4, V = 1074.6(3) Å3, S.G. P21/n, respectively. Сompound KDETBA crystallizes in the orthorhombic lattice with a = 4.2541(6) Å, b = 14.739(2) Å, c = 16.635(3) Å, Z = 4, V = 1043.1(3) Å3, S.G. P212121. In Li(I) and Na(I) complexes, the DETBA− ion is in cis-configuration and, in the K(I) complex, this ion is in trans-configuration. The reason for the transformation from cis- to trans-configuration has been rationalized.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Golovneva I. I.
Заглавие : The crystal structure of lead(II) 1,3-diethyl-2-thiobarbiturate
Место публикации : Russ. J. Coord. Chem.: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 41, Is. 5. - P.300-304. - ISSN 1070, DOI 10.1134/S1070328415050012. - ISSN 16083318(eISSN)
Примечания : Cited References:25
Предметные рубрики: HYDROGEN-BOND
COMPLEXES
ACID
2-THIOBARBITURATE
DIFFRACTION
SERIES
Аннотация: The complex [Pb2(DETBA)4] n (I), where HDETBA is 1,3-diethyl-2-thiobarbituric acid (C8H12N2O2S), was obtained and structurally characterized by X-ray diffraction (CIF file CCDC no. 1031501). The crystals of complex I are trigonal: a = 12.9503(3), c = 32.077(1) Å, V = 4658.9(3) Å3, space group R3¯ , Z = 9. One of the crystallographically independent lead ions, Pb(1)2+, is coordinated in an octahedral fashion by six DETBA− ions through the O atoms. The other ion, Pb(2)2+, is coordinated to six DETBA− ions through three O atoms and three S atoms making up a trigonal prism. The polyhedra Pb(1)O6 and Pb(2)O6 are united through bridging DETBA− ions into infinite layers. The ligands are linked by neither intermolecular hydrogen bonds nor π-π interactions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Molokeev M. S., Golovnev N. N., Vereshchagin S. N., Atuchin V. V.
Заглавие : Crystal structure, spectroscopic and thermal properties of the coordination compounds M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+
Место публикации : Polyhedron: Elsevier, 2015. - Vol. 98. - P.113-119. - ISSN 0277-5387, DOI 10.1016/j.poly.2015.05.048
Примечания : Cited References: 43. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for financial support of the investigation.
Предметные рубрики: 2-THIOBARBITURIC ACID
THIOBARBITURIC ACID
1,3-DIETHYL-2-THIOBARBITURIC ACID
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
CHEMISTRY
NETWORKS
LIGAND
SERIES
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--alkali ion thallium(i) and ammonium cations--coordination compounds--thermal analysis--x-ray diffraction
Аннотация: Four new compounds of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, Hdetba) with Rb+, Cs+, Tl+ and NH4+ ions were prepared by Hdetba neutralization with the metal carbonates or ammonium hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray diffraction techniques, differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The coordination compounds of MDetba with M = Rb, Cs and Tl crystallize in the orthorhombic space group P212121, but compound NH4Detba crystallizes in the triclinic space group P1¯. The MDetba structures were compared at the molecular and supramolecular levels. The Detba- ion in the NH4+ compound forms conformer (A) with two diethyl groups on one side of the ion ring, whereas the Detba- ion in the Rb(I), Cs(I) and Tl(I) compounds forms conformer (B) with two diethyl groups on different sides of the ring. The results of IR spectroscopy and thermal analysis are consistent with the X-ray data. © 2015 Elsevier Ltd.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Goryunov Y. V., Atuchin V. V.
Заглавие : New class of bicyclic compounds derived from thiobarbituric acid with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl-2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy
Место публикации : J. Mol. Struct.: Elsevier, 2015. - Vol. 1102. - P.101-107. - ISSN 0022-2860, DOI 10.1016/j.molstruc.2015.08.046
Примечания : Cited References: 40. - The work was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015 (Contract 3049). V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation (Contract 14.607.21.0106). The authors also thank SFU CEJU for the technical support
Предметные рубрики: 1,3-diethyl-2-thiobarbituric acid
Crystal-structure
2-thiobarbituric acid
Barbituric-acid
Hydrogen-bond
Derivatives
Diffraction
Equilibria
Inhibitors
Series
Ключевые слова (''Своб.индексиров.''): bicyclic compounds--thiobarbiturates--heterocycles--x-ray diffraction--ir spectroscopy--theoretical calculations
Аннотация: The colorless crystals of 1,3-diethyl-7-hydroxy-5,5,7-trimethyl-2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one (1) have been crystallized from the solution containing 1,3-diethyl-2-thiobarbituric acid (HDETBA) and equal volumes of concentrated HCl and acetone A possible stoichiometric reaction mechanism has been suggested. The crystal structure of 1 has been determined by X-ray single crystal analysis. The phase purity of the precipitate has been verified by powder X-ray diffraction analysis. Compound 1 crystallizes in the orthorhombic structure, space group P212121, with cell parameters a = 9.7454(4), b = 11.2225(4), c = 13.9171(5) Å, Z = 4, V = 1522.1(1) Å3. The molecules of 1 contain the bicyclic ring constructions new in thiobarbiturates. The molecules of 1 are linked by O-H...O hydrogen bonds to infinite molecule chains. The results of mass spectrometric analysis, theoretical studies and IR spectroscopy confirm the structure of 1. Using the PASS software, the general pharmacological potential of 1 was analyzed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N.
Заглавие : Crystal structure and some properties of europium(III) Catena-{tris(1,3-diethyl-2-thiobarbiturate)}
Место публикации : J. Struct. Chem.: MAIK Nauka-Interperiodica / Springer, 2016. - Vol. 57, Is. 1. - P.167-174. - ISSN 00224766 (ISSN), DOI 10.1134/S0022476616010200
Примечания : Cited References: 25. - The work was supported within the State Contract of the Ministry of Education and Science of the Russian Federation for research in the Siberian Federal University in 2015.
Предметные рубрики: 1,3-diethyl-2-thiobarbituric acid
Hydrogen-bond
Diffraction
Series
Ключевые слова (''Своб.индексиров.''): crystal structure--complex--europium(iii)--1,3-diethyl-2-thiobarbituric acid--thermal analysis--ir spectroscopy--photoluminescence
Аннотация: The [Eu(HDTBA)3] n complex (I), HDTBA is 1,3-diethyl-2-thiobarbituric acid (C8H12N2O2S) is synthesized and its structure is determined by X-ray crystallography. The crystals of I are triclinic: a = 11.0205(2) Å, b = 11.8811(3) Å, c = 12.7312(2) Å, α = 100.933(1)°, β = 109.704(1)°, γ = 101.161(1)°, V = 1479.88(5) Å3, space group P-1, Z = 2. Each of three independent DETBA- ions is a bridging μ2-O,O′-coordinated ligand. The coordination polyhedron of Eu(III) is a distorted octahedron. Bridging DETBA- organize the octahedra into an infinite two-dimensional layer. The structure contains intramolecular hydrogen bonds but intermolecular hydrogen bonds and the π-π interaction are absent. The results of IR spectroscopy and photoluminescence agree with the single crystal X-ray diffraction data. The main product of the thermal decomposition of I at 900°C is oxysulfate Eu2O2SO4. © 2016 Pleiades Publishing, Ltd.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Lesnikov M. K., Atuchin V. V.
Заглавие : First outer-sphere 1,3-diethyl-2-thiobarbituric compounds [M(H2O)6](1,3-diethyl-2-thiobarbiturate)2·2H2O (M = Co2+, Ni2+): Crystal structure, spectroscopic and thermal properties
Место публикации : Chem. Phys. Lett.: Elsevier, 2016. - Vol. 653. - P.54-59. - ISSN 00092614 (ISSN), DOI 10.1016/j.cplett.2016.04.059
Примечания : Cited References: 50. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015-2016. V.V. A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation. X-ray data were obtained with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS.
Предметные рубрики: Thiobarbituric acid complexes
Transition-metal-complexes; 2-thiobarbituric acid; hydrogen-bond
2-thiobarbituric acid
Hydrogen-bond
Chemistry
Transformation
Diffraction
Ligand
Series
Copper
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--nickel(ii)--cobalt(ii)--coordination compound--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: Two new d-element compounds, [Co(H2O)6](Detba)2·2H2O (1) and [Ni(H2O)6](Detba)2·2H2O (2) (HDetba - 1,3-diethyl-2-thiobarbituric acid) were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC and FT-IR. Structural analysis revealed that (1) and (2) are discrete structures, in which M2+ ion (M = Co, Ni) is six-coordinated by water molecules and it forms an octahedron. The outer-sphere Detba- ions and H2O molecules participate in O-H?(O/S) intermolecular hydrogen bonds which form the 2D layer. Thermal decomposition includes the stage of dehydration and the following stage of oxidation of Detba- with a release of CO2, SO2, H2O, NH3 and isocyanate gases. © 2016 Elsevier B.V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Drokin N. A., Shabanov V. F.
Заглавие : Temperature dependence of the dielectric characteristics of a 5CB liquid crystal within the relaxation region
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2005. - Vol. 47, Is. 4. - P765-768. - ISSN 1063-7834, DOI 10.1134/1.1913994
Примечания : Cited References: 9
Предметные рубрики: SERIES
Аннотация: The temperature dependence of the real part of the permittivity of a 4-n-pentyl-4-cyanobiphenyl liquid crystal was studied within a broad frequency range of 30-5000 MHz and in the temperature interval 20-60 degrees C in the vicinity of the nematic-isotropic-liquid phase transition. It was established that the dispersion of the longitudinal component of the permittivity can be fitted well by a sum of two Debye terms with strongly differing relaxation times. The temperature and frequency dependence of the shorter relaxation time was determined for which the best fit between calculations and experiment was achieved. (C) 2005 Pleiades Publishing, Inc.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Drokin N. A., Shabanov V. F., Shepov V. N.
Заглавие : Specific features of the approximation of the dielectric spectra of alkylcyanobiphenyl liquid crystals
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2003. - Vol. 45, Is. 3. - P598-602. - ISSN 1063-7834, DOI 10.1134/1.1562253
Примечания : Cited References: 16
Предметные рубрики: DECIMETER WAVELENGTH RANGE
SERIES
RELAXATION
Аннотация: The frequency dependences of the longitudinal and transverse permittivities of oriented nematic liquid crystals belonging to the alkylcyanobiphenyl group nCB (n = 5-8) are measured in the relaxation region in the meter and decimeter wavelength ranges. It is established that the dispersion of the longitudinal permittivity is well approximated by the sum of two Debye processes with different relaxation times. The frequency dependence of the transverse permittivity is represented by the dispersion relation with a continuous distribution of relaxation times in a specified time range. It is demonstrated that, in the high-frequency range (f 200 MHz), in which the dielectric spectra exhibit a number of weakly pronounced dispersion features, the total dispersion of the permittivity is adequately described by the sum of relaxation and resonance processes. (C) 2003 MAIK "Nauka/Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belyaev B. A., Drokin N. A., Shabanov V. F.
Заглавие : Dielectric and optical properties of a 5-propyl-2-(p-cyanophenyl)-pyridine liquid crystal
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2003. - Vol. 45, Is. 4. - P797-801. - ISSN 1063-7834, DOI 10.1134/1.1569024
Примечания : Cited References: 12
Предметные рубрики: DECIMETER WAVELENGTH RANGE
SERIES
SPECTRA
5CB
Аннотация: The temperature dependences of the dielectric and optical parameters for a 5-propyl-2-(p-cyanophenyl)-pyridine (3CP) liquid crystal are investigated in the vicinity of the nematic-isotropic phase transition. The dielectric spectra of the 3CP compound in the crystalline, nematic, and isotropic phases are measured in the frequency range 1-1000 MHz, and the Debye approximations of the measured spectra are obtained. Analysis of the dependence of the static permittivity on the director orientation with respect to the direction of the electric pump field demonstrates that the angle between the dipole moment and the long axis of the molecule is approximately equal to 15degrees. (C) 2003 MAIK "Nauka / Interperiodica".
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