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

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Каталог книг и брошюр библиотеки ИФ СО РАН

Каталог журналов библиотеки ИФ СО РАН

Труды сотрудников ИФ СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N., Atuchin V. V.
Заглавие : Calcium and strontium thiobarbiturates with discrete and polymeric structures
Место публикации : J. Coordinat. Chem.: Taylor & Francis, 2013. - Vol. 66. No. 23. - P.4119–4130. - ISSN 4119-4130, DOI 10.1080/00958972.2013.860450
Ключевые слова (''Своб.индексиров.''): calcium--2-thiobarbituric acid ir--crystal structure--thermal decomposition--strontium--ir spectroscopy
Аннотация: Three new alkaline earth metal complexes, [Ca2(H2O)8(μ2-HTBA-O,O′)2(HTBA-O)2] (1), [Ca(H2O)5(HTBA-O)2]·2H2O (2), and [Sr(H2O)4(μ2-HTBA-O,S)2]n (3) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S), were synthesized and characterized by FT-IR spectroscopy, TG-DSC, and single-crystal and powder X-ray diffraction analysis. The single-crystal X-ray diffraction data revealed that 1 and 2 are discrete structures, whereas 3 is a polymer. In 1 and 2, Ca2+ is seven-coordinate and forms a monocapped trigonal prism. In 1, the prisms are pairwise connected with the assistance of two [μ2-HTBA-O,O′]− ligands. In 3, Sr2+ is coordinated by four monodentate HTBA− via S or O donors and four waters, with the formation of a distorted square antiprism. The antiprisms are connected by μ2-O,S bridging HTBA−. Hydrogen bonding involving coordinated water and π–π interactions plays an important role in construction of the supramolecular 3-D structures in 1–3. Infrared spectroscopic data supported the structural data. The thermal stability of 1–3 decreases in the order 1 2 3. Dehydration of 1–3 was a multi-step process, followed by exothermic oxidative degradation of the 2-thiobarbiturate moiety between 290 and 800 °C.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structures of cesium and rubidium 2-thiobarbiturates
Место публикации : Russ. J. Inorg. Chem.: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 59, Is. 9. - P.943-946. - ISSN 0036-0236, DOI 10.1134/S003602361409006X. - ISSN 1531-8613
Примечания : Cited References: 13
Предметные рубрики: ACID
COLLECTION
Аннотация: The crystal structures of cesium 2-thiobarbiturate C4H3CsN2O2S (I) and rubidium 2-thiobarbiturate C4H3N2O2RbS (II) (C4H4N2O2S is 2-thiobarbituric acid, H2TBA) have been determined. Isostructural crystals are monoclinic; a = 7.9609(3) Å,b = 11.8474(3) Å, c = 7.7317(2) Å, β = 101.285(3)°, V = 715.13(4) Å3, space group C2/m, Z = 4 for I and a = 7.6369(2) Å, b = 11.7690(3) Å, c = 7.5568(2) Å, β = 100.212(1)°, V = 668.44(3) Å3, space group C2/m, Z = 4 for II. Each metal ion in complexes I and II is bonded to four oxygen atoms and two sulfur atoms at the vertices of a six-vertex polyhedron. N-H…O hydrogen bonds link HTBA-ions into chains. The structure is also stabilized by the “head-to-tail” π-π interaction of HTBA-ions.
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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., Sterkhova I. V., Lesnikov M. K., Atuchin V. V.
Заглавие : Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability
Место публикации : Polyhedron: Elsevier, 2017. - Vol. 134. - P.120-125. - ISSN 02775387 (ISSN), DOI 10.1016/j.poly.2017.06.002
Примечания : Cited References: 25
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--complexes--x-ray diffraction--infrared spectroscopy--manganese(ii)
Аннотация: Three new complexes of 1,3-diethyl-thiobarbituric acid (HDetba), barbiturate-bridged 2D Mn(II) polymer [Mn(H2O)2(Detba)2] (1), trinuclear [Mn3(H2O)10(Detba)6] (2) and discrete molecular [Mn(H2O)4(Detba)2]·H2O (3) are synthesized and structurally characterized by the X-ray single crystal technique. In 1–3, the Detba− ions are coordinated to Mn(II) only through O atoms with manganese ions in the octahedral environment. In 1, the Mn(II) ion is coordinated by four μ2 bridge Detba− ions and two terminal H2O molecules. In 2, the Mn1 ion is coordinated by three terminal H2O molecules, two terminal and one μ2 bridge Detba− ion, and Mn2 is connected with two μ2-Detba− ions and four H2O molecules. In 3, the Mn(II) ion is coordinated by two terminal Detba− ions and four terminal H2O molecules. There are intermolecular hydrogen bonds O–H⋯O, O–H⋯S in the structures of 1–3 which form the 3D networks. Structure 2 is stabilized by the π–π interaction. The compounds thermal decomposition comprises dehydration steps and the organic ligand oxidation.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K.
Заглавие : Novel 1,3-diethyl-2-thiobarbiturates of 2,2′-bipyridine and 1,10-phenanthroline: Synthesis, crystal structure and thermal stability
Место публикации : J. Mol. Struct. - 2018. - Vol. 1171. - P.488-494. - ISSN 00222860 (ISSN), DOI 10.1016/j.molstruc.2018.06.035
Примечания : Cited References: 43. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University (4.7666.2017/BP) in 2017–2019 and RFBR according to research projects 17-52-53031. X-ray data from single crystals were obtained with using the analytical equipment of Baikal Center of collective use of SB RAS and with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS.
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--1,10-phenanthroline--2,2′-bipyridine--salt--salt co-crystal--infrared spectroscopy--thermal stability
Аннотация: Co-crystallization of 1,3-diethyl-2-thiobarbituric acid (HDetba) with 2,2′-bipyridine (Bipy) and 1,10-phenanthroline (Phen) results in preparing a salt co-crystal, BipyH(Detba)(HDetba) (1), and the salt, PhenH(Detba)·H2O (2). The compounds are characterized by single–crystal and powder X–ray diffraction and TG-DSC. The nitrogen atoms of BipyH+ adopt a cis conformation and the N–C–C–N torsion angle is −17.3(1)º. There are six intermolecular hydrogen bonds O–H⋯O, N–H⋯O, C–H⋯O and C–H⋯S in (1) which form a 2D plane network. One Detba– ion and one HDetba molecule form a pair by means of O–H⋯O hydrogen bonds. Detba− anions in (2) do not form dimers, they are connected by N–H⋯O, C–H⋯S, and C–H⋯O hydrogen bonds only with PhenH+ cations and water molecules which form a 3D net. Different π−π interactions between the rings are found in (1)−(2).
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova, I., V
Заглавие : Structure and Thermal Decomposition of Nd(III), Gd(III) and Tb(III) 2-Thiobarbiturates
Коллективы : Ministry of Education and Science of the Russian FederationMinistry of Education and Science, Russian Federation [4.7666.2017/BCh]
Место публикации : Russ. J. Inorg. Chem. - 2019. - Vol. 64, Is. 9. - P.1146-1151. - ISSN 0036-0236, DOI 10.1134/S0036023619090134. - ISSN 1531-8613(eISSN)
Примечания : Cited References: 21. - The work was performed as part of the State Assignment of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University in 2017-2019. (4.7666.2017/BCh). The powder X-ray diffraction studies were performed using the equipment at the Baikal and Krasnoyarsk Centers for Collective Use of the Siberian Branch of the Russian Academy of Sciences.
Предметные рубрики: CRYSTAL-STRUCTURE
TRANSFORMATION
Аннотация: Complexes [Ln2(H2O)6(μ2-Htba−O,O')4(Htba−O)2]n (Ln = Tb (I), Gd (II), Nd (III); and H2tba is thiobarbituric acid) have been synthesized. According to single-crystal X-ray diffraction, monoclinic crystals of I–III are isostructural. They contain three independent Htba– ions (one terminal and two bridging) and two independent Ln3+ ions. Six Htba– ligands (two terminal and four O,O'-bridging) and two water molecules are coordinated to one Ln3+ ion, and four O,O'-bridging Htba– ions and four water molecules are coordinated to the other Ln3+ ion to form square antiprisms. The antiprisms are bound by Htba– bridging ions into layers. Numerous hydrogen bonds and π–π interactions stabilize the structures of the compounds. Thermal decomposition of complexes I and II performed in air results in mixtures of oxides and oxysulfates, whereas complex III forms Nd2O2SO4.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Lesnikov M. K., Samoilo A. S.
Заглавие : Hydrates of lanthanide(III) 2-thiobarbiturates: synthesis, structure, and thermal decomposition
Место публикации : Russ. J. Inorg. Chem. - 2020. - Vol. 65, Is. 7. - P.999-1005. - ISSN 00360236 (ISSN), DOI 10.1134/S0036023620070098
Примечания : Cited References: 22. - This study was financially supported by the Russian Foundation for Basic Research within scientific project no. 19-52-80003
Аннотация: The hydrates Ln(Htba)3 ∙ 3H2O (Ln = Yb (I), Er (II), Ho (III); Н2tba = 2-thiobarbituric acid), Ln(Htba)3 ∙ 2H2O and Ln(Htba)3 ∙ 8H2O were crystallized from aqueous solutions. According to single-crystal X-ray diffraction analysis data, the structure of monoclinic crystals of isostructural complexes I–III was [Ln2(H2O)6(μ2-Htba-О,O')4(Htba-О)2]n. The formation of isostructural Ln(Htba) ∙ 2H2O (Ln = La, Ce, Eu, Yb, Lu), Ln(Htba)3 ∙ 8H2O (Ln = Eu, Tb, Ho, Yb) and Y(Htba)3 ∙ nH2O (n = 2, 8) was confirmed by the comparison of X-ray diffraction patterns, and their composition was determined by elemental and thermal analyses. The stability of crystal hydrates under heating in an air atmosphere and in contact with their saturated solutions was studied.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova, I., V, Lesnikov M. K.
Заглавие : Crystal Structure of Norfloxacinium and 2,2 '-Bipyridyl-1 '-Ium 2-Thiobarbiturates
Коллективы : RFBRRussian Foundation for Basic Research (RFBR) [19-52-80003]
Место публикации : J. Struct. Chem. - 2020. - Vol. 61, Is. 10. - P.1639-1647. - ISSN 0022-4766, DOI 10.1134/S0022476620100170. - ISSN 1573-8779(eISSN)
Примечания : Cited References: 33. - The reported study was funded by RFBR, project number 19-52-80003
Предметные рубрики: THERMAL-STABILITY
ACID
FORMS
Аннотация: Organic salts with the composition NfH2(Htba)·6H2O (I) and BipyH(Htba)·2H2O (II) (Н2tba is 2-thiobarbituric acid, NfH is norfloxacin and Bipy is 2,2′-dipyridyl) are prepared. Their structures are determined by XRD (CCDC cif-file No. 1967494-1967495). Crystals I are triclinic: a = 11.8821(4) Å, b = 11.9959(5) Å, c = 12.0038(4) Å, α = 119.835(1)°, β = 107.691(1)°, γ = 95.237(1)°, V = 1351.80(9) Å3, space group P-1, Z = 2. Crystals II are monoclinic: a = 7.9587(2) Å, b = 19.6272(4) Å, c = 10.1118(2) Å, β = 98.118(1)°, V = 1563.71(6) Å3, space group P21/n, Z = 4. The structures are stabilized by numerous hydrogen bonds and π–π interactions involving Нtba−, NfH+2, and BipyH+ ions. Thermal decomposition of these compounds in air includes dehydration and oxidative degradation stages.
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