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    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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    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 / N. N. Golovnev [et al.] // Chem. Phys. Lett. - 2016. - Vol. 653. - P. 54-59, DOI 10.1016/j.cplett.2016.04.059. - 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. . - ISSN 0009-2614
   Перевод заглавия: Первые соединения с внешнесферным 1,3-диэтил-2-тиобарбитуратом [M(H2O)6](1,3-диэтил-2-2тиобарбитурат)2·2H2O (M=Co2+, Ni2+): кристаллическая структура, спектроскопия и тепловые свойства

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
Thiobarbituric acid complexes
   Transition-metal-complexes; 2-thiobarbituric acid; hydrogen-bond
   2-thiobarbituric acid
   Hydrogen-bond
   Chemistry
   Transformation
   Diffraction
   Ligand
   Series
   Copper
Кл.слова (ненормированные):
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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Держатели документа:
Department of Chemistry, Siberian Federal University, 79 Svobodny Aven., Krasnoyarsk, Russian Federation
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 Seryshev Str., Khabarovsk, 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:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Atuchin, V. V.
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