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

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev A. D., Golovnev N. N.
Заглавие : Ciprofloxacinium malonate dihydrate: preparation, crystal structure, thermal stability
Место публикации : J. Sib. Fed. Univ. Chem. - 2013. - Vol. 6, Is. 2. - P.107-113; Журн. СФУ. Сер. "Химия"
Аннотация: Ciprofloxacinium malonate dihydrate (I) , C 17 H 19 FN 3 O 3 ∙C 3 H 3 O 4 ∙H 2 O, (C 17 H 18 FN 3 O 3 – ciprofloxacin, CfH; C 3 H 4 O 4 − malonic acid) has been crystallized from the mutual solution of malonic acid and ciprofloxacin in ambient conditions. It has improved aqueous solubility against the ciprofloxacin. The colourless crystals have been investigated using X-ray single crystal and powder techniques, and characterized by differential scanning calorimetry and thermogravimetry. The obtained compound can be considered as a salt with ciprofloxacinium in the role of a cation and malonate as an anion. The compound is crystallized in the triclinic lattice with a = 7.283(2), b = 10.090(3), c = 15.104(5)Å, α = 102.711(4), β = 103.328(4), γ = 94.261(4)°, Z = 2, V = 1044.5(6)Å , S.G. P 1 . The crystal structure determination reveals the importance of inter-and intramolecular interactions in the crystal formation. Thermal behavior and solubility of I provided complementary evidences of salt formation.
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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) : Hao J., Tao M., Gao Z., Chen S., Liu Y., Wang H., Wei Y., Molokeev M. S., Li G.
Заглавие : Enhanced green emission and thermal stability of Ba3Si6O12N2:Eu2+ by Ce3+/P5+-doping: Unity energy transfer, charge compensation and lattice strain release
Место публикации : J. Lumines. - 2020. - Vol. 220. - Ст.116995. - ISSN 00222313 (ISSN), DOI 10.1016/j.jlumin.2019.116995
Примечания : Cited References: 66. - This work is financially supported by the National Natural Science Foundation of China (NSFC No. 51672259 , 51601131 ) and the Fundamental Research Fund for National Universities , China University of Geosciences (Wuhan)
Аннотация: To optimize luminescence properties of oxonitridosilicate phosphors are extremely necessary for improving lighting quality of white light-emitting diodes (WLEDs). Herein, we designed Ce3+, Eu2+ codoping and P5+-Si4+ substitution in the presentative Ba3Si6O12N2:Eu2+ green phosphor to realize an enhancement of luminescence efficiency and thermal stability. Rietveld refinement results of Ce3+, Eu2+, P5+-doped Ba3Si6O12N2 (BSON) confirmed the formation of pure trigonal phase (P-3) of Ba3Si6O12N2 and the successful doping of Ce3+, Eu2+, P5+ ions. Ce3+ and Eu2+ ions randomly occupy two Ba crystallographic sites. Interestingly, a near unity energy transfer (ET, ~100%) from Ce3+ ions to Eu2+ ions is observed. Meanwhile, the doping of P5+ ions into BSON also helps improving the luminescence efficiency and thermal stability, which should be attributed to the charge compensation and the relax of lattice strain. In addition, the white light emitting diodes (WLEDs) fabricated by employing P5+-doped BSON: Eu2+ present a better electroluminescence performance than BSON: Eu2+. This study could serve as a guide in developing optimized oxonitridosilicates phosphors with improved luminescence performances based on complete energy transfer and lattice variations in local coordination environments through cation substitutions, and the as-prepared Ce3+/P5+-codoped Ba3Si6O12N2:Eu2+ could be an excellent green-emitting phosphor for UV-to-Visible LED chips pumped WLEDs.
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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) : Churilov G. N., Nikolaev N. S., Elesina V. I., Glushenko G. A., Isakova V. G., Tomashevich Y. V.
Заглавие : Obtaining particles with the structure Mg@C and (Mg@C)@Pd, their properties and stability in the hydrogenation/dehydrogenation processes
Место публикации : Int. J. Hydrogen Energy. - 2022. - Vol. 47. Is. 11. - P.7299-7309. - ISSN 03603199 (ISSN), DOI 10.1016/j.ijhydene.2021.03.042
Примечания : Cited References: 46
Аннотация: In this work, we studied the change in the properties of powders with a core (magnesium) – shell structure (carbon and carbon/palladium) in the process of hydrogenation/dehydrogenation with hydrogen (99.995 wt%). Magnesium powders were obtained by plasma chemical synthesis in an atmosphere of argon containing a small amount of hydrogen (2–3 at.%) and nitrogen (8–9 at.%), when performing a low-frequency arc discharge between a tungsten electrode and a magnesium melt. The shell (carbon and carbon/palladium) was deposited in a plasma generator with vortex and magnetic stabilization. For all samples, a decrease in the sorption capacity of hydrogen was observed as a result of successive cycles of sorption and desorption reactions. It was found that the reason for this fall is associated with the formation of the MgO and Mg(OH)2 phase, which prevents the diffusion of hydrogen. The carbon shell provides a more complete hydrogenation of the magnesium particles, and an additional palladium shell increases the resistance to cyclic hydrogenation/dehydrogenation and reduces the temperature of these processes. According to the data obtained, powders with particles (Mg@C)@Pd can absorb the largest amount of hydrogen (6.9 wt%) for the duration of 5 cycles, after which the protective shell of the particles begins to collapse and a loss of sorption capacity is observed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisenko Y. G., Atuchin V. V., Molokeev M. S., Aleksandrovsky A. S., Krylov A. S., Oreshonkov A. S., Volkova S. S., Andreev O. V.
Заглавие : Structure, thermal stability, and spectroscopic properties of triclinic Double sulfate AgEu(SO4)2 with isolated SO4 groups
Место публикации : Inorg. Chem. - 2018. - Vol. 57, Is. 21. - P.13279-13288. - ISSN 00201669 (ISSN), DOI 10.1021/acs.inorgchem.8b01837
Примечания : Cited References: 81. - This work was supported by the Russian Foundation for Basic Research (Grants 16-52-48010 and 17-52-53031). The equipment of the Collective Use Center, Kirensky Institute of Physics, Federal Research Center KSC Siberian Branch Russian Academy of Sciences (http://ccu.kirensky.ru/) were used.
Аннотация: Silver–europium double sulfate AgEu(SO4)2 was obtained by solid-phase reaction between Ag2SO4 and Eu2(SO4)3. The crystal structure of AgEu(SO4)2 was determined by Monte Carlo method with simulated annealing, and after that, it was refined by the Rietveld method from X-ray powder diffraction data. The compound crystallizes in the triclinic symmetry, space group P1̅ (a = 0.632929(4), b = 0.690705(4), c = 0.705467(4) nm, α = 98.9614(4), β = 84.5501(4), γ = 88.8201(4)°, V = 0.303069(3) nm3). Two types of sulfate tetrahedra were found in the structure, which significantly affects the spectroscopic properties in the IR-range. In the temperature range of 143–703 K, the average linear thermal expansion coefficients of cell parameters a, b, and c are very similar, (1.11–1.67) × 10–5 K–1 in magnitude, and therefore, AgEu(SO4)2 expands almost isotropically. Upon heating in argon flow, AgEu(SO4)2 is stable up to 1053 K. The luminescence spectra in the region of ultranarrow 5D0–7F0 transition contain a single narrow and symmetric line at 579.5 nm that is evidence of good crystalline quality of AgEu(SO4)2 and uniform local environment of Eu3+ ions in the structure. Distribution of luminescence bands is determined by the environment of Eu3+ ions in the structure. Influence of Ag+ ions on the electron density distribution at Eu sites is detected.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Tarasova L. S., Atuchin V. V., Vladimirova N. I.
Заглавие : The 5-(isopropylidene)-2-thiobarbituric acid: Preparation, crystal structure, thermal stability and IR-characterization
Место публикации : J. Mol. Struct.: Elsevier Science, 2014. - Vol. 1068. - P.216-221. - ISSN 0022-2860, DOI 10.1016/j.molstruc.2014.04.024. - ISSN 1872-8014
Примечания : Cited References: 30. - V.V.A. is grateful to the Ministry of Education and Science of Russian Federation for the financial support of the investigation.
Предметные рубрики: 2-THIOBARBITURIC ACID
COMPLEXES
DERIVATIVES
Ключевые слова (''Своб.индексиров.''): 5-(isopropylidene)-2-thiobarbituric acid--synthesis--thiobarbituric acid--x-ray diffraction--infrared spectroscopy--thermography
Аннотация: 5-(Isopropylidene)-2-thiobarbituric acid (1), C7H8N2O2S, has been crystallized by reacting 2-thiobarbituric acid with excessing acetone for 5–6 days under ambient conditions. The pale yellow crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compound crystallizes in the monoclinic system with a = 8.8268(19) Å, b = 12.044(3) Å, c = 8.0998(19) Å, β = 105.388(6)°, Z = 4, V = 830.2(3) Å3, space group P21/c. The geometric parameters of the heterocycle of the molecule 1 are similar to those found previously for the molecule of thionedicarbonyl tautomer in polymorphic modifications of 2-thiobarbituric acid. Infrared spectroscopy also evidences the thionedicarbonyl structure of the 1 heterocyclic ring. Intermolecular NH⋯O hydrogen bonds join the molecules in the chains along b axis. The 1 compound is thermally stable up to 230.0 °С and melts with decomposition at 261.4 °C. The results of mass spectrometric analysis are consistent with the structural parameters found by X-ray diffraction methods.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Dudnikov V. A., Orlov Yu. S., Kazak N. V., Fedorov A. S., Solov'yov L. A., Vereshchagin S. N., Burkov A. T., Novikov S. V., Ovchinnikov S. G.
Заглавие : Thermoelectric properties and stability of the Re0.2Sr0.8CoO3-δ (Re = Gd, Dy) complex cobalt oxides in the temperature range of 300‒800 K
Место публикации : Ceram. Int. - 2019. - Vol. 45, Is. 5. - P.5553-5558. - ISSN 02728842 (ISSN) , DOI 10.1016/j.ceramint.2018.12.013
Примечания : Cited References: 38. - This study was supported by the Russian Science Foundation , project no. 16-13-00060 , Russia
Ключевые слова (''Своб.индексиров.''): substituted rare earth cobalt oxides--thermoelectric oxide materials--ordered and disordered states
Аннотация: Temperature dependences of the electrical resistivity and Seebeck coefficient of the Re0.2Sr0.8CoO3‒δ (Re = Gd, Dy) complex cobalt oxides in the temperature range of 300 – 800 K have been investigated. The effects of ordering in the cation and anion sublattices on the thermoelectric properties has been examined and their comparative analysis has been made. It was found that, in the investigated temperature range, the thermoelectric power factor of the ordered compounds significantly exceeds the analogous parameter of the disordered samples. The temperature dependence of the electrical resistivity was shown to obey the activation law. As the temperature increases, the samples undergo a semiconductor-semiconductor electronic transition with a decrease in the activation energy. The thermoelectric properties of all the samples are shown to be stable in the investigated temperature range. The maximum thermoelectric power factor of the ordered Dy0.2Sr0.8CoO2.67 cobaltite at a temperature of 360 K has been obtained; it amounts to 0.23 µW/(cm·K2), which is a good parameter for this class of materials.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Lesnikov M. K., Sterkhova I. V., Atuchin V. V.
Заглавие : Thiobarbiturate and barbiturate salts of pefloxacin drug: Growth, structure, thermal stability and IR-spectra
Место публикации : J. Mol. Struct.: Elsevier, 2017. - Vol. 1149. - P.367-372. - ISSN 00222860 (ISSN), DOI 10.1016/j.molstruc.2017.08.011
Примечания : Cited References: 41. - 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. The reported study was funded by RFBR according to the research project 16-52-48010 and 17-52-53031. The X-ray data from single crystals were obtained with the use of the analytical equipment of the SB RAS Baikal Collective Use Center and using the analytical equipment of the SB RAS Krasnoyarsk Collective Use Center.
Ключевые слова (''Своб.индексиров.''): thiobarbituric acid--barbituric acid--pefloxacin--x-ray diffraction--infrared spectroscopy--salts--thermal stability
Аннотация: Three new salts of pefloxacin (PefH) with thiobarbituric (H2tba) and barbituric (H2ba) acids, pefloxacinium 2-thiobarbiturate trihydrate, PefH2(Htba)·3H2O (1), pefloxacinium 2-thiobarbiturate, PefH2(Htba) (2) and bis(pefloxacinium barbiturate) hydrate, (PefH2)2(Hba)2·2.56H2O (3) are synthesized and structurally characterized by the X-ray single-crystal diffraction. The structures of 1–3 contain intramolecular hydrogen bonds C–H⋯F, O–H⋯O. Intermolecular hydrogen bonds N–H⋯O and O–H⋯O form a 2D plane network in 1. In 2 and 3, intermolecular hydrogen bonds N–H⋯O form the infinite chains. In 1–3, the Htba− and Hba− ions are connected with PefH2 + only by one intermolecular hydrogen bond N–H⋯O. In 2 and 3, two Htba− and Hba− ions are connected by two hydrogen bonds N–H⋯O. These pairs form infinite chains. All three structures are stabilized by the π−π interactions of the head-to-tail type between PefH2 + ions. Compounds 2 and 3 are characterized by powder XRD, TG-DSC and FT-IR.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K.
Заглавие : Two novel mixed-ligand Ni(II) and Co(II) complexes with 1,10-phenanthroline: Synthesis, structural characterization, and thermal stability
Место публикации : Chem. Phys. Lett. - 2018. - Vol. 708. - P.11-16. - ISSN 00092614 (ISSN), DOI 10.1016/j.cplett.2018.07.058
Примечания : Cited References: 29. - 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. X-ray data from single crystals were obtained with use 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.''): barbituric acid--1,10-phenanthroline complexes--x-ray diffraction--thermal decomposition--infrared spectroscopy
Аннотация: Two nickel(II) and cobalt(II) complexes with phenanthroline, [Ni(Phen)(H2O)3Br]Br (1) and [Co(Phen)2(H2O)2](Hba)2·2H2O (2), Phen = 1,10-phenanthroline and Hba− = barbiturate anion, were synthesized and characterized by powder XRD, TGA and FT-IR. Their structures were determined by single crystal X-ray diffraction techniques. The Ni2+ ion is coordinated by two N atoms of Phen molecule, Br− ion and three H2O molecules forming an octahedron. Uncoordinated and coordinated Br− ions are connected with water molecules by OH⋯Br intermolecular hydrogen bonds with the formation of a 2D plane network which is extended into a 3D network by π−π stacking interactions. The [Co(Phen)2(H2O)2]2+ cation contains a six-coordinated cobalt atom chelated by two Phen ligands and two aqua ligands in the cis arrangement. NH⋯O, OH⋯O and CH⋯O intermolecular hydrogen bonds form a 3D net. NH⋯O hydrogen bonds form the infinite chains of Hba–. In addition, coordinated Phen molecules and lattice water molecules are linked via CH⋯OW hydrogen bonds to form infinite zigzag chains. These different chains are connected by OWH⋯O hydrogen bonds. π−π interaction plays an important role in the stabilization of structures 1–2. FT-IR, TGA, the diffuse reflectance, and UV–Vis spectra were also used to characterize these compounds.
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