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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lykhin A. O., Novikova G. V., Kuzubov A. A., Staloverova N. A., Sarmatova N. I., Varganov S. A., Krasnov P. O.
Заглавие : A complex of ceftriaxone with Pb(II): synthesis, characterization, and antibacterial activity study
Коллективы : RFBR [14-03-31, 170 MOJI_a]
Место публикации : J. Coord. Chem.: Taylor & Francis, 2014. - Vol. 67, Is. 16. - З2783-2794. - ISSN 0095-8972, DOI 10.1080/00958972.2014.938065. - ISSN 1029-0389
Примечания : Cited References: 48. - The reported study was supported by RFBR, research project No. 14-03-31, 170 MOJI_a and Krasnoyarsk regional fund for supporting scientific and technological activities. We thank the Center for Equipment Joint Use of the Siberian Federal University. We are grateful to the HPC Research Departments of Siberian Federal University and Moscow University Supercomputing Center (SKIF MSU "Chebyshev") for the access to the high-performance computer clusters.
Предметные рубрики: BETA-LACTAM ANTIBIOTICS
TERNARY COMPLEX
METAL-COMPLEXES
BASIS-SETS
3 DECADES
RESISTANCE
COPPER(II)
CEPHALOSPORINS
EVOLUTION
1ST-ROW
Ключевые слова (''Своб.индексиров.''): ceftriaxone lead(ii) complex--dft--ir spectroscopy--tga--antibacterial screening
Аннотация: A Pb(II) complex with ceftriaxone (H2Ceftria) antibiotic was synthesized by reaction of ceftriaxone disodium salt (hemi)heptahydrate with lead nitrate in water–ethanol medium. The complex was characterized on the basis of complexometric titration, spectrophotometric and thermogravimetric analyses, capillary electrophoresis, IR, Raman and UV–vis spectroscopies, and density functional theory calculations. Pb(II) is five-coordinate with distorted square pyramidal geometry. The coordination of Ceftria2− to Pb(II) occurs through N and O of the triazine, lactam carbonyl, carboxylate, and amine groups. The antibacterial activity study showed that Klebsiella pneumoniae is resistant to [Pb(Ceftria)]·3H2O. The antibacterial activity of [Pb(Ceftria)]·3H2O against Staphylococcus aureus is reduced compared with ceftriaxone. In contrast, the antibacterial activity of [Pb(Ceftria)]·3H2O against Escherichia coli is 28% higher than that of ceftriaxone antibiotic.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Solovyov L. A., Golovnev N. N., Molokeev M. S., Lesnikov M. K.
Заглавие : Bis(μ3-barbiturato−O,O,O′)-(μ2-aqua)- aqua-barium(II): crystal structure, spectroscopic and thermal properties
Место публикации : J. Coord. Chem.: Taylor & Francis, 2017. - Vol. 70, Is. 12. - P.1984-1993. - ISSN 00958972 (ISSN), DOI 10.1080/00958972.2017.1319943
Примечания : Cited References: 21
Ключевые слова (''Своб.индексиров.''): barbituric acid--barium--coordination compound--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: A polymeric coordination compound, [Ba(H2O) 2(Hba)2] (1) (H2ba – barbituric acid, C4H4N2O3), was obtained. The structure of 1 was solved using powder X-ray diffraction methods. The Ba2+ ion in 1 formed a three-capped trigonal prism. The BaO9 polyhedra, connected with each other by the edges and faces, formed a chain. Several 4- and 12-membered cycles due to the bridging μ2-H2O and bridging μ3-Hba– also formed implementing a 3-D polymer structure. The structures of 1 and other thiobarbiturate complexes were compared. The replacement of a S atom by an O atom in the heterocyclic ligand Htba− (thiobarbiturate ion) of the compound Ba(H2O)2(Htba)2 resulted in changes of the coordination number Ba(II) and supramolecular structure. The intermolecular hydrogen bonds O–H⋯O and N–H⋯O formed a 3-D net where pronounced 2-D layers of Hba– ions could be found. A new topological net in 1 was observed. The IR and thermal stability were investigated.
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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) : Antonova A.B., Chudin O.S., Pavlenko N.I., Sokolenko W.A., Rubaylo A.I., Vasiliev A. D., Semeikin O.V.
Заглавие : Chemistry of vinylidene complexes. XVIII. Synthesis and molecular structure of the novel trinuclear mu(3)-vinylidene complex CpReFePt(mu(3)-C=CHPh)(CO)(6)(PPh(3))
Место публикации : J. Organomet. Chem. - 2009. - Vol. 694, Is. 1. - P.127-130. - ISSN 0022-328X, DOI 10.1016/j.jorganchem.2008.08.037
Примечания : Cited Reference Count: 17. - Гранты: This work was supported by the Council of the Russian Federation President for Support of Young Scientists and Leading Scientific Schools (Project No. NSch-4137.2006.2) and the Krasnoyarsk Regional Science Foundation (Grants 10TS145 and 17G002).Финансирующая организация: Council of the Russian Federation President for Support of Young Scientists and Leading Scientific Schools [NSch-4137.2006.2]; Krasnoyarsk Regional Science Foundation [10TS145, 17G002]
Предметные рубрики: CLUSTERS
CRYSTAL
MNFEPT
Ключевые слова (''Своб.индексиров.''): vinylidene complexes--heterometallic clusters--rhenium--iron--platinum--crystal structure--crystal structure--heterometallic clusters--iron--platinum--rhenium--vinylidene complexes--atomic physics--atoms--bond length--chemical bonds--coordination reactions--crystal structure--iron compounds--nuclear magnetic resonance--nuclear magnetic resonance spectroscopy--platinum--quantum chemistry--rhenium--rhenium compounds--bond angles--co groups--double bonds--fe atoms--heterometallic--heterometallic clusters--pt atoms--trimetallic--vinylidene complexes--x-ray diffractions--platinum compounds
Аннотация: The interaction between Cp(CO)(2)RePt(mu-C=CHPh)(PPh(3))(2) (1) and Fe(2)(CO)(9) afforded the new heterometallic mu(3)-vinylidene cluster CpReFePt(mu(3)-C=CHPh)(CO)(6)(PPh(3)) (2). An X-ray diffraction study shows the complex 2 possesses a trimetallic Re-Fe-Pt chain core. The bond lengths are Re-Fe 2.8221(8), Fe-Pt 2.5813(8) angstrom; the Re center dot center dot center dot Pt distance is 3.3523(7) angstrom; the bond angle Re-Fe-Pt is 76.55(3)degrees. The mu(3)-C=CHPh ligand is eta(1)-bound to the Re and Pt atoms and eta(2)-coordinated to the Fe atom. The C=C bond length is 1.412(4) angstrom. The Pt atom is coordinated by the PPh(3) and CO groups. Complex 2 is characterized by the IR and (1)H, (13)C and (31)P NMR spectra. (C) 2008 Elsevier B.V. All rights reserved.
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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) : Zhou, Guojun, Ding, Jialiang, Jiang, Xingxing, Zhang, Jian, Molokeev M. S., Ren, Qiqiong, Zhou, Jun, Li, Shili, Zhang, Xian-Ming
Заглавие : Coordination units of Mn2+ modulation toward tunable emission in zero-dimensional bromides for white light-emitting diodes
Место публикации : J. Mater. Chem. C. - 2022. - Vol. 10, Is. 6. - P.2095-2102. - ISSN 2050-7526, DOI 10.1039/d1tc05680h. - ISSN 2050-7534(eISSN)
Примечания : Cited References: 57. - The present work was supported by the Natural Science Foundation of China (21871167), the 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (2019XBY018), the Beijing Natural Science Foundation (No. 2214068) and funded by RFBR according to the research project no. 19-52-80003
Предметные рубрики: HALIDE PEROVSKITE NANOCRYSTALS
RECENT PROGRESS
DOPING MN2+
Аннотация: Organic–inorganic metal halides have become a multifunctional platform for manipulating photoluminescence due to highly efficient and tunable emissions, especially for lead-free Mn2+-based halides. Herein, the zero-dimensional (0D) bromides of (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 with different coordination environments were designed and synthesized by a solvent evaporation method. They exhibit green and red broadband emission peaks at 528 nm and 627 nm with high photoluminescence quantum yields of 86.83% and 61.91%, respectively, which are attributed to the d–d transition (4T1(G) → 6A1(S)) of [MnBr4]2− tetrahedral and [Mn3Br12]6− octahedral units. The cases emphasize the effect of organic ligands on the intrinsic emissions of Mn2+ ions, thereby revealing the luminescence mechanism of Mn2+ ions in 0D isolated structures through the Tanabe–Sugano (TS) energy diagram. Thanks to their bright and stable emissions, the fabricated white light-emitting diode (LED) based on (C5H14N3)2MnBr4 and (CH6N3)2MnBr4 provides an outstanding color rendering index (Ra) of 90.8 at a correlated color temperature (CCT) of 3709 K, along with the CIE chromaticity coordinates of (0.3985, 0.3979) and a luminous efficacy of 51.2 lm W−1. This work aims at clarifying the relationship between the coordination units of Mn2+ and tunable emissions, and in particular, proposes a new strategy to explore phosphors excited by blue light for white LEDs.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Knyazev Yu.V., Ivanova N. B., Kazak N. V., Platunov M. S., Bezmaternykh L. N., Velikanov D. A., Vasiliev A. D., Ovchinnikov S. G., Yurkin G. Yu.
Заглавие : Crystal structure and magnetic properties of Mn substituted ludwigite Co3O2BO3
Место публикации : J. Magn. Magn. Mater.: Elsevier Science BV, 2012. - Vol. 324, Is. 6. - P.923-927. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2011.07.044
Примечания : Cited References: 15. - The study was supported by the Russian Foundation for Basic Research (Project no. 09-02-00171-a), the Federal Agency for Science and Innovation (Rosnauka) (Project no. MK-5632.2010.2), the Physical Division of the Russian Academy of Science, the program "Strongly Correlated Electrons", Project 2.3.1.
Предметные рубрики: BOND VALENT SUMS
COORDINATION CHEMISTRY
OXIDATION -STATE
O BONDS
COMPLEXES
MANGANESE
COBALT
Ключевые слова (''Своб.индексиров.''): transition metal oxyborate--distinct crystallographic position--spin glass magnetic ordering
Аннотация: The needle shape single crystals Co3−x MnxO2BO3 with ludwigite structure have been prepared. According to the X-ray diffraction data the preferable character of distinct crystallographic positions occupation by Mn ions is established. Magnetization field and temperature dependencies are measured. Paramagnetic Curie temperature value Θ=−100 K points out the predominance of antiferromagnetic interactions. Spin-glass magnetic ordering takes the onset at TN=41 K. The crystallographic and magnetic properties of Co3O2BO3:Mn are compared with the same for the isostructural analogs Co3O2BO3 and CoO2BO3:Fe.
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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) : Abramova E. V., Sterkhova I. V., Molokeev M. S., Potapov V. A., Amosova S. V.
Заглавие : First coordination compounds of SeBr2 with selenium-containing ligands: X-ray structural determination
Место публикации : Mendeleev Commun.: Elsevier, 2016. - Vol. 26, Is. 6. - P.532-534. - ISSN 09599436 (ISSN), DOI 10.1016/j.mencom.2016.11.025
Примечания : Cited References: 11
Аннотация: The molecular structure of the coordination compounds of SeBr2 with 2,6-dichloro- and 2,6-dibromo-9-selenabicyclo[3.3.1]nonane ligands was determined by X-ray powder diffraction analysis. The complexes have a less dense packing in comparison with that in an isostructural complex of SeCl2 with 2,6-dichloro-9-selenabicyclo[3.3.1]nonane.
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10.

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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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato)dieuropium(III)
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : Russ. J. Coord. Chem.: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 40, Is. 9. - P.648-652. - ISSN 1070-3284, DOI 10.1134/S1070328414090036. - ISSN 1608-3318
Примечания : Cited References: 17. - This work was supported in the framework of the state program of the Ministry of Education and Science of the Russian Federation for research works of the Siberian Federal University in 2014.
Предметные рубрики: COMPLEXES
2-THIOBARBITURATE
Аннотация: Complex [Eu2(HTBA)6(H2O)6] n (I), where H2TBA is 2-thiobarbituric acid C4H4N2O2S, is synthesized. Its structure is determined by X-ray diffraction analysis (CIF file CCDC 987519). The crystals of complex I are monoclinic: a = 14.1033(4) Å, b = 10.0988(4) Å, c = 15.4061(5) Å, β = 110.003(1)°, V = 2061.9(1) Å3, space group P2/n, Z = 2. All three independent ligands HTBA− are coordinated to Eu3+ through oxygen atoms. Six HTBA− ions (two terminal and four bridging) and two water molecules are coordinated to one of the independent Eu3+ ions. The second Eu3+ ion is bound to four bridging HTBA− ions and four water molecules. The coordination polyhedra are square antiprisms. The bridging HTBA− ions join the antiprisms into layers. The structure is stabilized by numerous hydrogen bonds and the π-π interaction between HTBA−.
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12.

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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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova, Irina V., Atuchin V. V., Sidorenko, Maxim Y.
Заглавие : Hydrates [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties
Коллективы : Ministry of Education and Science of the Russian Federation [3049]
Место публикации : J. Coord. Chem.: Taylor & Francis, 2016. - Vol. 69, Is. 21. - P.3219-3230. - ISSN 0095-8972, DOI 10.1080/00958972.2016.1228914. - ISSN 1029-0389(eISSN)
Примечания : Cited References:33. - This work was supported by the the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University [grant number 3049].
Предметные рубрики: 2-THIOBARBITURIC ACID
COMPLEXES
1,3-DIETHYL-2-THIOBARBITURATE
TRANSFORMATION
CESIUM
Na
Li
Ключевые слова (''Своб.индексиров.''): 2-thiobarbituric acid--sodium--coordination compound--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: The hydrates [Na2(H2O)3(Htba)2] (1) and [Na2(H2O)4(Htba)2] (2), where H2tba is 2-thiobarbituric acid, were obtained under different thermal conditions from aqueous solutions and were structurally characterized. The molecular and supramolecular structures were compared to the known structure of [Na2(H2O)5(Htba)2] (3). In polymeric 1–3, the Htba− ions are linked to Na+ through O and S forming octahedra. The decrease of the number of coordination water molecules led to an increase of the total number of bridge ligands (μ2-H2O, Htba−) and a change of the Htba− coordination. These factors induced higher distortion of the octahedra. It was assumed that hydrates, with a different number of coordinated water molecules, are more probable when the central metal has weaker bonds with O water molecules and with other ligands. The net topologies of 1–3 were compared. Thermal decomposition and IR spectra were analyzed for 1 and 2.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Samoilo A. S., Atuchin V. V.
Заглавие : Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+
Место публикации : J. Coord. Chem.: Taylor & Francis, 2016. - Vol. 69, Is. 6. - P.957-965. - ISSN 00958972 (ISSN), DOI 10.1080/00958972.2016.1149168
Примечания : Cited References: 42. - 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.
Предметные рубрики: CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
THIOBARBITURIC ACID
THERMAL-PROPERTIES
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
NETWORKS
POLYMERS
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--alkaline earth metals--coordination compound--x-ray diffraction--thermal analysis
Аннотация: Two new isostructural complexes, [Ca(H2O)2(μ2-Detba-O,O′)2]n (1) and [Sr(H2O)2(μ2-Detba-O,O′)2]n (2) (HDetba = 1,3-diethyl-2-thiobarbituric acid), were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC, FT-IR, and emission spectroscopy. The single-crystal X-ray diffraction data revealed that 1 and 2 are polymeric where M2+ (M = Ca, Sr) is a six-coordinate octahedral binding four Detba− ions and two water molecules. The octahedra are linked through bridging Detba− ions forming a 2-D layer. Two intermolecular hydrogen bonds O–H…S in the crystal form a 3-D net. The comparison of M(Detba)2 and M(Htba)2 (H2tba = 2-thiobarbituric acid) structures showed that the coordination number of metals in M(Detba)2 does not exceed six and there are no π–π interactions, unlike compounds with Htba−; Detba− ions are only bridges in HDetba coordination compounds. Thermal decomposition of 1 and 2 includes dehydration, which mainly ends at 200 °C, and organic ligand oxidation at 300–350 °C with a release of CO2, SO2, H2O, NH3, and isocyanate. Upon excitation at 220 nm, 1 and 2 exhibit an intense emission maximum at 557 nm.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gao, Huabo, Molokeev M. S., Chen, Qi, Min, Xin, Ma, Bin
Заглавие : Novel AMoO4:Eu3+ (A = Ca and Ba) optical thermometer: Investigation of effect of local ionic coordination environment on optical performance and temperature measurement sensitivity
Место публикации : Ceram. Int. - 2023. - Vol. 49, Is. 16. - P.26803-26810. - ISSN 02728842 (ISSN), DOI 10.1016/j.ceramint.2023.05.217. - ISSN 18733956 (eISSN)
Примечания : Cited References: 52. - The work was supported by the program of Science and Technology International Cooperation Project of Qinghai province (No. 2022-HZ-807) and the National Natural Science Foundation of China (Grant No. 51802172), and was carried out within the framework of the Strategic Academic Leadership Program “Priority-2030′′ for the Siberian Federal University
Аннотация: A range of Eu3+-doped AMoO4 (A = Ca and Ba) phosphors were successfully synthetized, and their crystal structures, optical performance, and temperature measurement sensitivities were investigated in detail. Peak doping concentration of CaMoO4:Eu3+ phosphor was 0.18, while peak doping concentration of BaMoO4:Eu3+ phosphor may be greater than 0.18. Then, temperature-dependent photoluminescence emission spectra of representative CaMoO4:0.09Eu3+ and BaMoO4:0.03Eu3+ phosphors were recorded. CaMoO4:0.09Eu3+ phosphor exhibited abnormal thermal quenching, which was attributed to defects caused by heterovalent substitution of ions and increase in the temperature, and good thermal stability. Finally, the possibility of using both phosphors as optical thermometers was discussed, which exhibited good temperature sensitivity. However, CaMoO4:0.09Eu3+ phosphor exhibited two peak absolute (Sa, 1.28 %K−1 and 1.39 %K−1) and relative sensitivities (Sr, 1.21 %K−1 and 1.20 %K−1). In addition, variation trend of Sr value with temperature was considerably peculiar. Two optimum Sa and Sr values were attributed to abnormal thermal quenching of CaMoO4:0.09Eu3+ phosphor. Peak Sa and Sr values of BaMoO4:0.03Eu3+ phosphor was 12.39 %K−1 and 0.89 %K−1, respectively. In addition, Sa of AMoO4:Eu3+ phosphor was negatively related to Eu3+ central asymmetry, while peak Sr value was more inclined to appropriate ionic central asymmetry.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Aleksandrovsky A. S., Molokeev M. S., Krylov A. S., Oreshonkov A. S., Zhou D.
Заглавие : Structural and spectroscopic properties of self-activated monoclinic molybdate BaSm2(MoO4)4
Место публикации : J. Alloys Compd.: Elsevier, 2017. - Vol. 729. - P.843-849. - ISSN 09258388 (ISSN), DOI 10.1016/j.jallcom.2017.07.259
Примечания : Cited References: 60. - This work was supported by the National Natural Science Foundation of China (U1632146). The reported study was funded by RFBR according to the research projects 16-52-48010, 16-32-00351, 17-02-00920 and 17-52-53031. Also, the work was supported by (Act 211) the Government of the Russian Federation, contract 02.A03.21.0011, by Project № 0356-2015-0412 of SB RAS Program№II. 2P, and by the Ministry of Education and Science of the Russian Federation (4.1346.2017/PP).
Ключевые слова (''Своб.индексиров.''): coordination--crystal structure--luminescence--raman--sem--synthesis
Аннотация: The crystal structure of new monoclinic molybdate BaSm2(MoO4)4 is refined in monoclinic unit cell C2/m with cell parameters a = 5.29448 Å, b = 12.7232 Å, c = 19.3907 Å, β = 91.2812°, V = 1305.89 Å3. The crystal structure consists of the SmO8 square antiprism joined with each other by the edges forming a 2D layer perpendicular to the c-axis. MoO4 tetrahedra join SmO8 by nodes and also participate in layer formation, and Ba ions are located between these layers. The lattice dynamics is theoretically calculated on the base of the crystal structure data. The Raman spectra are recorded and analyzed in comparison with theoretical calculations. The discrepancy between the experimental and calculated Raman frequencies does not exceed 2 cm−1 for the most of Raman lines. The luminescence spectra of Sm3+ ions, which are positioned in the lowest local symmetry site C1, strongly differ from those detected for another molybdate crystal, β-RbSm(MoO4)2, with the C2 local symmetry. The 4G5/2 → 6H9/2 band is dominating in the BaSm2(MoO4)4 luminescence.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova I. V., Lesnikov M. K.
Заглавие : Structure of Barbituratobis(2,2'-Dipyridyl)copper(II) Heptahydrate
Коллективы : Ministry of Education and Science of the Russian Federation [4.7666.2017/BCh]
Место публикации : Russ. J. Coord. Chem. - 2019. - Vol. 45, Is. 8. - P.569-572. - ISSN 1070-3284, DOI 10.1134/S1070328419080037. - ISSN 1608-3318(eISSN)
Примечания : Cited References: 25. - This work was supported by the Ministry of Education and Science of the Russian Federation in the framework of the state task for the Siberian Federal University for 2017-2019 (4.7666.2017/BCh).
Предметные рубрики: IONIC CO-CRYSTALS
BARBITURIC-ACID
COMPLEXES
STATE
Аннотация: The structure of the complex [Cu(Bipy)2(BA)] ∙ 7H2O (I), where Bipy is 2,2'-dipyridyl, and BA2– is the barbituric acid anion (H2BA), is determined (CIF file CCDC no. 1887338). The thermal decomposition and IR spectrum of complex I are studied. The crystals are orthorhombic: a = 26.118(3), b = 27.685(3), c = 15.683(2) Å, V = 11 370(2) Å3, space group Fdd2, Z = 16. The discrete structure of the polar crystal consists of neutral [Cu(Bipy)2(BA)] particles and molecules of crystallisation water . The Cu2+ ion is bound to the N atoms of two bidentate Bipy molecules and the N atom of the BA2− ion at the vertices of the trigonal bipyramid CuN5. Compound I is the first example of the metal complex only with the N-coordinated anions of barbituric acid (BA2−, НBA−). The structure is stabilized by hydrogen bonds O−H∙∙∙O and N−H∙∙∙O to form a three-dimensional network with the π–π interaction between the Bipy molecules. The compound begins to lose water at ~50°С and is completely dehydrated above 200°С.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Smolentsev A. I., Lesnikov M. K.
Заглавие : Structure of tetrakis((1,3-diethyl-2-thiobarbiturato)(butanol-1))dicobalt(II)
Место публикации : Russ. J. Coord. Chem. - 2017. - Vol. 43, Is. 2. - P.82-85. - ISSN 10703284 (ISSN), DOI 10.1134/S1070328417010031
Примечания : Cited References: 21. - This work was carried out at the Siberian Federal University in terms of the state task of the Ministry of Education and Science of the Russian Federation for 2014–2016 (project no. 3049).
Ключевые слова (''Своб.индексиров.''): cobalt(ii)--1,3-diethyl-2-thiobarbituric acid--butanol-1--dimeric complex--structure--ir spectrum
Аннотация: The structure of the dimeric complex [Co2(BuOH)4(Detba)4] (I), where НDetba is 1,3-diethyl-2-thiobarbituric acid, and BuOH is butanol-1, is determined (CIF file CCDC 1475273), and its IR spectrum is studied. The crystals are monoclinic: a = 10.7185(5), b = 21.985(1), c = 12.7235(7) Å, β = 92.196(2)°, V = 2996.1(3) Å3, space group P21/c, Z = 2. The Co2+ ions in compound I are joined in pairs by bridging ligands μ2-Detba–−O,O'. In addition, each of them is linked through the O atoms to one terminal Detba–ion and two BuOH molecules to form a trigonal bipyramid СоО5. Hydrogen bonds O–H···O formed by BuOH and Detba– join the binuclear complexes into an infinite chain. The data of IR spectroscopy are consistent with the results of X-ray diffraction analysis.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N., Atuchin V. V.
Заглавие : Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2]·2H2O to non-centrosymmetric oxosulfate Nd2O2SO4
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : J. Coord. Chem.: Taylor & Francis, 2015. - Vol. 68, Is. 11. - P.1865-1877. - ISSN 0095, DOI 10.1080/00958972.2015.1031119. - ISSN 10290389(eISSN)
Примечания : Cited References:59. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering at the Siberian Federal University in 2014. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of this investigation.Cover image: Artwork representing main idea of this article
Предметные рубрики: THIOBARBITURIC ACID COMPLEXES
TRANSITION-METAL-COMPLEXES
Ключевые слова (''Своб.индексиров.''): neodymium--2-thiobarbituric acid--crystal structure--thermal--decomposition--ir spectroscopy
Аннотация: Neodymium complex [Nd(HTBA)2(C2H3O2)(H2O)2]n·2nH2O (1) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S) has been synthesized in an aqueous solution at 80–90 °C. The crystal structure of 1 has been determined by the Rietveld method in space group P21/n, a = 8.5939(2), b = 22.9953(5), c = 10.1832(2) Å, β = 112.838(1)°, Z = 4, and R = 0.0181. In 1, the Nd(III) is coordinated by four μ2-HTBA– ions through O, three oxygens from two μ2-η2 : η1-bridging CH3COO– anions, and two terminal waters with a tri-capped trigonal prism structure. The prisms form an edge-contact pair through two O from two acetates. The pairs are connected by HTBA– and form a 3-D framework. The principle product of thermal decomposition of 1 at 750 °C is Nd2O2SO4 (2). The crystal structure of 2 has been obtained in space group I222, a = 4.1199(4), b = 4.2233(4), c = 13.3490(12) Å, Z = 2, and R = 0.0246. The structure is related to an orthorhombic structure type of M2O2SO4 (M = Ln) compounds. In 2, the Nd3+ is coordinated by six oxygens in a trigonal prism. Each NdO6 prism links with two SO4 tetrahedra by nodes, with four other NdO6 prisms by edges, and with four other NdO6 prisms by nodes, and the units form the 3-D frame. In the frame, the layers of SO4 tetrahedra are alternated by two NdO6 prism layers.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhao M., Xia Z., Molokeev M. S., Ning L., Liu Q.
Заглавие : Temperature and Eu2+-doping induced phase selection in NaAlSiO4 polymorphs and the controlled yellow/blue emission
Место публикации : Chem. Mater.: American Chemical Society, 2017. - Vol. 29, Is. 15. - P.6552-6559. - ISSN 08974756 (ISSN), DOI 10.1021/acs.chemmater.7b02548
Примечания : Cited References: 48. - The present work was supported by the National Natural Science Foundation of China (Grants 91622125 and 51572023 and 11574003), Natural Science Foundations of Beijing (2172036), and Fundamental Research Funds for the Central Universities (FRF-TP-16-002A3). L.N. acknowledges the support from the Special and Excellent Research Fund of Anhui Normal University.
Ключевые слова (''Своб.индексиров.''): chemical modification--coordination reactions--europium--light emitting diodes--photoluminescence--functional properties--high color rendering index--local coordination structures--near ultraviolet excitations--structural transformation--synthesis temperatures--temperature dependent--white light emitting diodes--density functional theory
Аннотация: The union of temperature-dependent phase transition and relating structural transformation via modification of chemical compositions is of fundamental importance for the discovery of new materials or their functional properties optimization. Herein, the synthesis temperature and Eu2+-doping content induced phase selection and variations of the local structures in nepheline, low-carnegieite and high-carnegieite types of NaAlSiO4 polymorphs were studied in detail. The luminescence of Eu2+ in low-carnegieite and nepheline phases shows blue (460 nm) and yellow (540 nm) broad-band emissions, respectively, under near-ultraviolet excitation. The photoluminescence evolution can be triggered by the different synthesis temperatures in relation to the Eu2+-doping concentration, as corroborated by density functional theory calculations on the local coordination structures and corresponding mechanical stabilities in terms of the Debye temperature. The fabricated white light-emitting diode device with high color rendering index demonstrates that the multicolor phosphors from one system provides a new gateway for the photoluminescence tuning. © 2017 American Chemical Society.
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