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1.
Crystal structure, spectroscopic
and thermal properties of the coordination compounds M(1,3-
diethyl
-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+ / M. S. Molokeev [et al.]> // Polyhedron. - 2015. -
Vol. 98
. - P. 113-119,
DOI
10.1016/j.poly.2015.05.048. - 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. . - ISSN 0277-5387
Перевод заглавия:
Кристаллическая структура, спектроскопические и тепловые свойства координационных соединений M(1,3-
diethyl
-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+
РУБ
Chemistry, Inorganic & Nuclear + Crystallography
Рубрики:
2-
THIOBARBITURIC
ACID
THIOBARBITURIC
ACID
1,3-
DIETHYL
-2-
THIOBARBITURIC
ACID
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
CHEMISTRY
NETWORKS
LIGAND
SERIES
Кл.слова (ненормированные):
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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Держатели документа:
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Serysheva Str., Khabarovsk, Russian Federation
Department of Chemistry, Siberian Federal University, 79 Svobodny Aven., Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology, SB RAS, bld. 24 Akademgorodok 50, Krasnoyarsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovnev, N. N.; Головнёв, Николай Николаевич; Vereshchagin, S. N.; Верещагин С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич
}
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2.
Golovnev, N. N.
Crystal structure and some properties of europium(III) Catena-{tris(1,3-
diethyl
-2-thiobarbiturate)} / N. N. Golovnev, M. S. Molokeev, S. N. Vereshchagin> // J. Struct. Chem. - 2016. -
Vol. 57
,
Is. 1
. - P. 167-174,
DOI
10.1134/S0022476616010200. - 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. . - ISSN 0022-4766
РУБ
Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
1,3-
diethyl
-2-
thiobarbituric
acid
Hydrogen-bond
Diffraction
Series
Кл.слова (ненормированные):
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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Публикация на русском языке
Головнёв, Николай Николаевич. Кристаллическая структура и некоторые свойства катена-трис(1,3-диэтил-2-тиобарбитурата) европия(III) [Текст] / Н. Н. Головнёв, М. С. Молокеев, С. Н. Верещагин // Журн. структ. химии. - 2016. - Т. 57 № 1. - С. 171-178
Держатели документа:
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Khabarovsk, Russian Federation
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereshchagin, S. N.
}
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3.
Golovnev, N. N.
Crystal structure of catena-(μ4-1,3-
diethyl
-2-thiobarbiturato-O,O’,S,S)silver(I) / N. N. Golovnev, M. S. Molokeev, M. A. Lutoshkin> // Russ. J. Inorg. Chem. - 2015. -
Vol. 60
,
Is. 5
. - P. 572-576,
DOI
10.1134/S0036023615050071. - Cited References:25 . - ISSN 0036. - ISSN 1531-8613. -
РУБ
Chemistry, Inorganic & Nuclear
Рубрики:
1,3-
DIETHYL
-2-
THIOBARBITURIC
ACID
HYDROGEN-BOND
COMPLEXES
Аннотация:
The crystal structure of catena-(μ4-1,3-
diethyl
-2-thiobarbiturato-O,O’,S,S)silver(I) [Ag(μ4-DETBA-O,O’,S,S] (1), where HDETBA is 1,3-
diethyl
-2-
thiobarbituric
acid
C8H12N2O2S, has been solved by X-ray powder diffraction. Crystals of complex 1 are monoclinic, a = 7.8339(2) Å, b = 15.4970(4) Å, c = 8.7502(2) Å, β = 111.916(2)°, V = 985.53(5) Å3, space group P21/c, Z = 4. The Ag+ ion is coordinated by two oxygen atoms and two sulfur atoms to form a distorted tetrahedron. Tetrahedra share sulfur atom vertices to form infinite chains linked via bridging DETBA− ions into a three-dimensional framework. No hydrogen bonds have been found in the structure, but π-π interaction is observed between DETBA− ions.
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Публикация на русском языке
Головнёв, Николай Николаевич. Кристаллическая структура катена-(μ4-1,3-диэтил-2-тиобарбитурато-O,O’,S,S)серебра(I) [Текст] / Н. Н. Головнёв, М. С. Молокеев, М. А. Лутошкин // Журн. неорг. химии : Наука, 2015. - Т. 60 № 5. - С. 639–643
Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Far Eastern State Univ Railway Res, Khabarovsk 680021, Russia
Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Lutoshkin, M. A.
}
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4.
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 / N. N. Golovnev [et al.]> // J. Mol. Struct. - 2015. -
Vol. 1102
. - P. 101-107,
DOI
10.1016/j.molstruc.2015.08.046. - 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 . - ISSN 0022-2860
Перевод заглавия:
Новый класс бициклических соединений полученных из тиобарбитуровой кислоты с представителем 1,3-диэтил-7-гидрокси-5,5,7-триметил-2-тиоксо-1,2,3,5,6,7-гексагидро-4H-пирано[2,3-d]пиримидин-4-он. Синтез, кристаллическая структура, масс спектроскопия и ИК спектроскопия
Рубрики:
1,3-
diethyl
-2-
thiobarbituric
acid
Crystal-structure
2-
thiobarbituric
acid
Barbituric-
acid
Hydrogen-bond
Derivatives
Diffraction
Equilibria
Inhibitors
Series
Кл.слова (ненормированные):
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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Держатели документа:
Siberian Federal University, Svobodny Aven. 79, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, SB RAS, Bld. 38, Akademgorodok 50, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, 47 Serysheva Str., Khabarovsk, Russian Federation
Laboratory of Physical Chemistry, Irkutsk Favorsky Institute of Chemistry, SB RAS, 1 Favorsky, Irkutsk, Russian Federation
Laboratory of Optical Materials and Structures, SB RAS, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor, Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation
Institute of Thermophysics, 1 Lavrentiev Aven., Novosibirsk, Russian Federation
Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sterkhova, I. V.; Goryunov, Y. V.; Atuchin, V. V.
}
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