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    Crystal structure and magnetic properties of Mn substituted ludwigite Co3O2BO3 / Yu. V. Knyazev [et al.] // J. Magn. Magn. Mater. - 2012. - Vol. 324, Is. 6. - P. 923-927, DOI 10.1016/j.jmmm.2011.07.044. - 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. . - ISSN 0304-8853
   Перевод заглавия: Кристаллическая структура и магнитные свойства Mn-замещенного людвигита Co3O2BO3

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
BOND VALENT SUMS
   COORDINATION CHEMISTRY
   OXIDATION -STATE
   O BONDS
   COMPLEXES
   MANGANESE
   COBALT
Кл.слова (ненормированные):
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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Доп.точки доступа:
Knyazev, Yu.V.; Князев, Юрий Владимирович; Ivanova, N. B.; Иванова, Наталья Борисовна; Kazak, N. V.; Казак, Наталья Валерьевна; Platunov, M. S.; Платунов, Михаил Сергеевич; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Yurkin, G. Yu.; Юркин, Глеб Юрьевич
}
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    Synthesis and molecular structure of cobalt(II) complex with 1-(1-silatranylmethyl)-1,2,4-triazole / A. D. Vasiliev [et al.] // Struct. Chem. - 2013. - Vol. 24, Is. 4. - P. 1001-1005, DOI 10.1007/s11224-012-0121-0. - Cited References: 24 . - ISSN 1040-0400
   Перевод заглавия: Синтез и молекулярная структура комплекса кобальта(II) с 1-(1-силатранилметил)-1,2,4-триазолом

РУБ Chemistry, Multidisciplinary + Chemistry, Physical + Crystallography
Рубрики:
REACTIVITY
   DERIVATIVES
   CRYSTAL
   SPECTRA
Кл.слова (ненормированные):
Complexes -- 1-(1-Silatranylmethyl)-1,2,4-triazole -- Cobalt dichloride -- X-ray diffraction
Аннотация: Reaction of cobalt chloride with 1-(1-silatranylmethyl)-1,2,4-triazole in benzene afforded complex CoCl2 center dot 2L (L = 1-(1-silatranylmethyl)-1,2,4-triazole). It was isolated as the solvate [CoCl2 center dot 2L]center dot CH2Cl2 (1) by recrystallization from dichloromethane and structurally characterized by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group P2(1)/m with a = 6.798(2) E, b = 20.326(5) E, c = 11.005(3) E, and Z = 4. The cobalt atom is in slightly distorted square-planar environment, coordinated to two nitrogen atoms from two ligands and two chloride ions.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
East Siberian State Academician Educ, Irkutsk 664011, Russia
Russian Acad Sci, Siberian Branch, AE Favorsky Irkutsk Inst Chem, Irkutsk 664033, Russia

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Zel'bst, E. A.; Soldatenko, A. S.; Bolgova, Yu.I.; Trofimova, O. M.; Voronkov, M. G.
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    Golovnev, N. N.
    Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li-I and Na-I / N. Golovnev, M. S. Molokeev // Acta Crystallogr. C. - 2013. - Vol. 69, Pt. 7. - P. 704-708, DOI 10.1107/S0108270113014078. - Cited References: 26 . - ISSN 0108-2701
   Перевод заглавия: Мостиковое поведение аниона 2-тиобарбитурата в комплексах с Li(I) и Na(I)

РУБ Crystallography
Рубрики:
THIOBARBITURIC ACID
NETWORKS
Аннотация: The structures of the Li-I and Na-I salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H(2)TBA) have been studied. mu-Aqua-octaaquabis(mu-2-thiobarbiturato-kappa O-2:O')bis(2-thiobarbiturato-kappa O)tetralithium(I) dihydrate, [Li-4(C4H3N2O2S)(4)(H2O)(9)]center dot 2H(2)O, (I), crystallizes with four symmetry-independent four-coordinated Li-I cations and four independent HTBA(-) anions. The structure contains two structurally non-equivalent Li-I cations and two non-equivalent HTBA(-) anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between Li-I cations. Discrete [Li-4(HTBA)(4)(H2O)(9)]center dot 2H(2)O complexes form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[mu(2)-aqua-tetraaqua(mu(4)-2-thiobarbiturato-kappa O-4:O:S:S)(mu(2)-thiobarbiturato-kappa O-2:S)disodium(I)], [Na-2(C4H3N2O2S)(2)(H2O)(5)](n), (II), crystallizes with six-coordinated Na-I cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the mu(4)-HTBA(-) ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA(-) ligands integrate the chains to give a three-dimensional network.

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Держатели документа:
Siberian State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич
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Chemistry of vinylidene complexes. XX. Intramolecular carbonylation of vinylidene on the MnFe center: Spectroscopic and structural study. X-ray structure of the new trimethylenemethane type MnFe complex / A. B. Antonova [et al.] // J. Organomet. Chem. - 2011. - Vol. 696, Is. 4. - P. 963-970, DOI 10.1016/j.jorganchem.2010.10.035. - Cited References: 52. - This work was partially supported by the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 7.18) and Russian Foundation for Basic Research (Grant No. 09-03-90745-mob_st). Authors are grateful to Prof. N.A. Ustynyuk for useful discussions, Dr. E.A. Shor and Dr. A.M. Shor for giving the data of quantum chemical study. . - ISSN 0022-328X

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
MOLECULAR-STRUCTURE
   ORGANOMETALLIC CHEMISTRY
   TRICARBONYL COMPLEXES
   UNSATURATED CARBENES
   METAL VINYLIDENES
   TRANSITION-METALS
   ORGANIC-SYNTHESIS
   CRYSTAL-STRUCTURE
   IRON TRICARBONYL
   MANGANESE
Кл.слова (ненормированные):
Manganese -- Iron -- Carbonyl complexes -- Heteronuclear vinylidene complexes -- Intramolecular vinylidene carbonylation -- Trimethylenemethane complexes
Аннотация: Reactions of Fe-2(CO)(9) with Cp(CO)(2)Mn=C=CHPh (1) and Cp(CO)(PPh3)Mn=C=CHPh (3) gave the heterometallic trimethylenemethane complexes eta(4)-{C[Mn(CO)(2)Cp](CO)CHPh}Fe(CO)(3) (2) and eta(4)-{C[Mn(CO)(PPh3)Cp](CO)CHPh}Fe(CO)(3) (4), respectively. The formation of the benzylideneketene [PhHC=C=C=O] fragment included in complexes 2 and 4 occurs via intramolecular coupling of the carbonyl and vinylidene ligands. The structures of 3 and 4 were determined by single crystal XRD methods. The influence of the nature of the L ligands at the Mn atom on the structural and spectroscopic characteristics of eta(4)-{C[Mn(CO)(L)Cp](CO)CHPh}Fe(CO)(3) (L = CO (2), PPh3 (4)) is considered. According to the VT H-1 and C-13 NMR spectra, complex 2 reversibly transforms in solution into mu-eta(1):eta(1)-vinylidene isomer Cp(CO)(2)MnFe(mu-C=CHPh)(CO)(4) (2a), whereas complex 4 containing the PPh3 ligand is not able to a similar transformation. (C) 2010 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Russian Acad Sci, Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia

Доп.точки доступа:
Antonova, A. B.; Chudin, O. S.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Rubaylo, A. I.; Verpekin, V. V.; Sokolenko, W. A.; Pavlenko, N. I.; Semeikin, O. V.
}
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    Chemistry of vinylidene complexes. XXI. Synthesis, spectroscopic and structural study of the RePt and MnPt μ–vinylidene complexes / A. B. Antonova [et al.] // Inorg. Chim. Acta. - 2013. - Vol. 394. - P. 328–336DOI 10.1016/j.ica.2012.06.038. - Cited References: 48
   Перевод заглавия: Химия винилиденовых комплексов. XXI. Синтез, спектроскопическое и структурное исследование RePt и MnPt μ-винилиденовых комплексов.
Аннотация: Reaction of Cp(CO)2Redouble bond; length as m-dashCdouble bond; length as m-dashCHPh (1) with Pt(PPh3)4 and subsequent treatment of Cp(CO)2RePt(μ–Cdouble bond; length as m-dashCHPh)(PPh3)2 (2) with diphosphines P–P = dppe, dppp afforded new complexes Cp(CO)2RePt(μ–Cdouble bond; length as m-dashCHPh)(P–P) (4, 5). The structures of Cp(CO)2RePt(μ–Cdouble bond; length as m-dashCHPh)(dppp) (5) and Cp(CO)2MnPt(μ–Cdouble bond; length as m-dashCHPh)(dppp) (10) have been determined by single crystal XRD. The influence of the nature of M = Re, Mn and L2 = (PPh3)2, dppm, dppe, dppp at the Pt atom on the structural, IR and 1H, 13C and 31P NMR spectroscopic characteristics of complexes Cp(CO)2MPt(μ–Cdouble bond; length as m-dashCHPh)(L2) (2–5, 7–10) is considered.

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia;

Доп.точки доступа:
Antonova, A. B.; Verpekin, V. V.; Chudin, O. S.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Pavlenko, N. I.; Sokolenko, W. A.; Rubaylo, A. I.; Semeikin, O. V.
}
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    2-Thiobarbiturate complexes of Ca(II): synthesis, crystal structure and thermal properties / N. N. Golovnev [et al.] // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 157
   Перевод заглавия: 2-тиобарбитуровые комплексы Ca(II): синтез, кристаллическая структура и термические свойства
Кл.слова (ненормированные):
calcium -- 2-thiobarbituric acid -- crystal structure -- thermal decomposition -- IR spectroscopy

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereschagin, S. N.; Верещагин, С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
}
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Golovnev, N. N.
Crystal structure of catena-di(2-thiobarbiturato-O, S) aqualead(II) / N. N. Golovnev, M. S. Molokeev // J. Struct. Chem. - 2013. - Vol. 54, Is. 5. - P. 968-971, DOI 10.1134/S0022476613050193. - Cited References: 16 . - ISSN 0022-4766

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
THIOBARBITURIC ACID COMPLEXES
COLLECTION
Кл.слова (ненормированные):
catena-di(mu(2)-2-thiobarbiturato-O,S)aqualead(II) -- crystal structure -- hydrogen bonds -- Pi-Pi interaction
Аннотация: The crystal structure of catena-di(mu(2)-2-thiobarbiturato-O,S)aqualead(II) C8H8N4O5S2Pb (C4H4N2O2S is 2-thiobarbituric acid, H(2)TBA) is determined. Crystallographic data for catena-[Pb(H2O)(mu(2)-HTBA-O,S)(2)] are as follows: a = 6.5972(1) , b = 9.8917(2) , c = 10.0893(2) , alpha = 106.702(1)A degrees, beta = 93.395(2)A degrees, gamma = 107.48(1)A degrees, V = 593.82(2) (3), space group , Z = 2. The Pb2+ ion is linked with six monodentate HTBA(-) ligands through two O atoms and four S atoms and also connected with a water molecule. Additionally, there is a shortened Pb-S contact (3.622 ), given which the complex polyhedron represents a distorted square antiprism. Hydrogen bonds N-HaEuro broken vertical bar O and O-HaEuro broken vertical bar O form a branched three-dimensional network. The structure is also stabilized by the pi-pi interaction of heterocyclic HTBA(-) ions.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура катена-ди(2-тиобарбитурато-O,S)аквасвинца(II) / Н. Н. Головнёв // Журнал структурной химии. - 2013. - Т. 54, № 5. - С. 940-943

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич
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Krasnov, P. O.
Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings / P. O. Krasnov, N. S. Eliseeva, A. A. Kuzubov // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 1. - P. 80-84, DOI 10.1134/S1063776111160059. - Cited References: 25. - We are grateful to the Joint Supercomputer Center, Russian Academy of Sciences, for the possibility of using the computer cluster for our quantum-chemical calculations. This work was supported by the Ministry of Education and Science of the Russian Federation (federal program "Human Capital for Science and Education in Innovative Russia" for 2009-2013). . - ISSN 1063-7761. - ISSN 1090-6509

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-HYDROGEN COMPLEXES
   STORAGE
   NANOTUBES
   TRANSITION
   ENERGY
   TEMPERATURE
   EXCHANGE
   DYNAMICS
   METALS
   C60
Аннотация: The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of five- and seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

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Публикация на русском языке Краснов, Павел Олегович. Взаимодействие атомов скандия и титана с углеродной поверхностью, содержащей пятичленные и семичленные кольца [Текст] / П. О. Краснов, Н. С. Елисеева, А. А. Кузубов // Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 1. - С. 90-95

Держатели документа:
[Krasnov, P. O.
Kuzubov, A. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Krasnov, P. O.
Kuzubov, A. A.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович; Краснов, Павел Олегович; Ministry of Education and Science of the Russian Federation
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Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2·2Н2О and the complexes M(HTBA)2(H2O)2 (M = Ni, Co, Fe) / N. N. Golovnev [et al.] // Polyhedron. - 2014. - Vol. 70. - P. 71-76, DOI 10.1016/j.poly.2013.12.021. - Cited References: 32 . - ISSN 0277-5387

РУБ Chemistry, Inorganic & Nuclear + Crystallography
Рубрики:
2-THIOBARBITURIC ACID
   THIOBARBITURIC ACID
   COLLECTION
   POLYMERS
Кл.слова (ненормированные):
2-Thiobarbiturate complexes -- 3D elements -- IR spectra -- Structure -- Synthesis -- Thermal stability
Аннотация: Four new compounds, the discrete complex [Ni(H2O) 6](HTBA)2 .2H2O (1) and the polymers Ni(H2O)2(HTBA-O,S)2 (2), Co(H 2O)2(HTBA-O,S)2 (3) and Fe(H2O) 2(HTBA-O,S)2 (4) (H2TBA = 2-thiobarbituric acid, C4H4N2O2S), have been synthesized and structurally characterized. The structure of 1 has been solved by X-ray single-crystal diffraction analysis. The Ni(H2O) 6 2+ cation has an almost ideal octahedral geometry, and there is no coordination of Ni(II) by HTBA- in 1. Complexes 2-4 have been characterized by powder XRD, TG-DSC and FT-IR. In the isostructural polymers 2-4, the metals are six-coordinated, and the octahedrons are connected by μ2-O,S bridging ligands. Each of the M(II) ions is surrounded by two water molecules, two O-coordinated HTBA- ions and two S-coordinated HTBA- ions, with all pairs being in trans-positions. Hydrogen bonding and π-π interactions play an important role for the construction of the supramolecular 3D structures of 2-4. The formation of the complexes has been evidenced by infrared spectroscopy. The thermal decomposition of 2-4 under oxidative conditions has been divided into three major stages: dehydration, oxidative degradation of the organic moiety and transformation of the inorganic residue. © 2013 Elsevier Ltd. All rights reserved.

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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk 660041, Russia
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk 660036, Russia
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Tomsk 634050, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereshchagin, S. N.; Atuchin, V. V.; Sidorenko, M. Y.; Dmitrushkov, M. S.
}
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10.

Golovnev, N. N.
Crystal structure of catena-(2-thiobarbiturato) dithallium(I) / N. N. Golovnev, M. S. Molokeev // J. Struct. Chem. - 2014. - Vol. 55, Is. 1. - P. 125-129, DOI 10.1134/S002247661401020X. - Cited References: 12. - The work was supported by the grant of the President of the Russian Federation for the support of leading scientific schools of the Russian Federation (NSh-924.2014.2) and the Federal Targeted Program "Scientific and Scientific Pedagogical Personnel of Innovative Russia, 2009-2013" (State contracts Nos. 02.740.11.0269 and 02.740.11.0629) . - ISSN 0022-4766. - ISSN 1573-8779

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
THIOBARBITURIC ACID COMPLEXES
COLLECTION
Кл.слова (ненормированные):
catena-2-(thiobarbiturato)dithallium(I) -- crystal structure -- hydrogen bonds -- π-π interaction
Аннотация: By powder X-ray diffraction the crystal structure of catena-(2-thiobarbiturato)dithallium(I) C4H2N2O2STl2(C4H4N2O2S is 2-thiobarbituric acid, Н2ТBA), Tl2TBA, is determined. Crystallographic data for Tl2TBA are as follows: a = 15.1039(3) Å, b = 12.0818(2) Å, c = 3.86455(6) Å, β = 97.203(1)°, V = 741.34(2) Å3, space group P21/n, Z = 4. There are two non-equivalent thallium atoms in the structure. The Tl1 polyhedron is a distorted trigonal prism due to the shortened Tl–S contact (3.634 Å), and the Tl2 polyhedron is a distorted square antiprism.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура катена-2-тиобарбитурата диталлия(I) [Текст] / Н. Н. Головнёв, М. С. Молокеев // Журн. структ. химии. - 2014. - Т. 55 № 1. - С. 130-134

11.

Thermodynamic stability and electron structure of polymeric sandwich complexes of porphyrins with different metals / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2012. - Vol. 86, Is. 10. - P. 1567-1569, DOI 10.1134/S0036024412100159. - Cited References: 14 . - ISSN 0036-0244

РУБ Chemistry, Physical
Рубрики:
INITIO MOLECULAR-DYNAMICS
TRANSITION
Кл.слова (ненормированные):
porphyrins -- sandwich complexes -- electron structure -- thermodynamic stability
Аннотация: The thermodynamic stability of different conformers of the polymeric sandwich structures of metalloporphyrins (MeP) is studied by means of quantum chemistry. The possibility of forming stable layered BaP, SrP, ScP, YP, and ZrP structures with shielded and retarded conformation is demonstrated. Shielded conformers are preferable in the case of SrP, BaP, and ScP complexes, while retarded conformers are most advantageous for YP and ZrP complexes. Based on the results from calculating the electron structure of the investigated compounds, we find that SrP and BaP are semiconductors and ScP, YP, and ZrP are electrical conductors.

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Публикация на русском языке Термодинамическая устойчивость и электронная структура полимерных “сэндвичевых” комплексов порфиринов с различными металлами [Текст] / А. А. Кузубов [и др.] // Журн. физ. химии. - 2012. - Т. 86 № 10. - С. 1669-1672

Держатели документа:
[Kuzubov, A. A.
Krasnov, P. O.
Ignatova, N. Yu.
Fedorov, A. S.
Tomilin, F. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Tomilin, F. N.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Fedorov, A. S.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Krasnov, P. O.; Краснов, Павел Олегович; Ignatova, N. Y.; Fedorov, A. S.; Федоров, Александр Семенович; Tomilin, F. N.; Томилин, Феликс Николаевич
}
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12.

Nature of optical properties of GdFe3(BO3)4 and GdFe2.1Ga0.9(BO3)4 crystals and other 3d5 antiferromagnets / A. V. Malakhovskii [et al.] // Eur. Phys. J. B. - 2012. - Vol. 85, Is. 2. - P. 80, DOI 10.1140/epjb/e2012-20953-1. - Cited References: 70. - The work was supported by the Russian Foundation for Basic Researches Grant 12-02-00026 and by Russian President Grant NSh-1044.2012.2. . - ISSN 1434-6028

РУБ Physics, Condensed Matter
Рубрики:
IRON BORATE GDFE3(BO3)4
   D-D TRANSITIONS
   EARTH FERROBORATES RFE3(BO3)4
   ABSORPTION-SPECTRA
   OCTAHEDRAL COMPLEXES
   ELECTRONIC-STRUCTURE
   NEEL TEMPERATURE
   FINE-STRUCTURE
   EXCHANGE
   IONS
Аннотация: Influence of the partial substitution of paramagnetic Fe3+ ions by diamagnetic Ga3+ ions in the trigonal crystal GdFe3 (BO3)4 on its optical and magnetic properties is studied and discussed in connection with problems common for all antiferromagnets containing 3d 5 ions. Polarized optical absorption spectra and linear birefringence of GdFe3 (BO3)4 and GdFe2.1Ga0.9 (BO3)4 single crystals have been measured in the temperature range 85–293 K. Specific heat temperature dependence (2–300 K) and structure of GdFe2.1Ga0.9 (BO3)4 crystal have been also studied. As a result of substitution of 30% Fe to Ga the Neel temperature diminishes from 38 till 16 K, the strong absorption band edge shifts on 860 cm-1 (0.11 eV) to higher energy and the d-d transitions intensity decreases substantially larger than the Fe concentration does. Strong absorption band edge is shown to be due to Mott-Hubbard transitions. Correlation between position of the strong absorption band edge and the Neel temperature of antiferromagnets has been revealed. Properties of the doubly forbidden d-d transitions in the studied crystals and in other antiferromagnets are explained within the framework of the model of the exchange-vibronic pair absorption, which is theoretically analyzed in detail. The model permitted us to determine the connection between parameters of d-d absorption bands (intensity, width and their temperature dependences), on the one hand, and the exchange, spin-orbit and electron-lattice interactions, on the other hand.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Malakhovskii, A. V.; Малаховский, Александр Валентинович; Sukhachev, A. L.; Сухачев, Александр Леонидович; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Leont'ev, A. A.; Леонтьев, Андрей Александрович; Kartashev, A. V.; Карташев, Андрей Васильевич; Temerov, V. L.; Темеров, Владислав Леонидович; Gudim, I. A.; Гудим, Ирина Анатольевна
}
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13.

Golovnev, N.
Bridging behaviour of the 2-thiobarbiturate anion in its complexes with LiI and NaI / N. Golovnev, M. Molokeev // Acta Crystallographica Section C Crystal Structure Communications. - 2013. - Vol. 69, Pt. 7. - P. 704-708, DOI 10.1107/S0108270113014078 . - ISSN 0108-2701
Кл.слова (ненормированные):
2-thiobarbituric acid -- Coordinated water -- Dihydrates -- Edge sharing -- Hydrogen bonding interactions -- Three-dimensional networks -- Atoms -- Complex networks -- Hydrogen bonds -- Ligands -- Negative ions -- Positive ions -- Three dimensional -- Lithium
Аннотация: The structures of the LiI and NaI salts of 2-thiobarbituric acid (2-sulfanylidene-1-3-diazinane-4,6-dione, H 2TBA) have been studied. μ-Aqua-octaaquabis(μ-2- thiobarbiturato-κ2 O:O′)bis(2-thiobarbiturato-κO) tetralithium(I) dihydrate, [Li4(C4H3N 2O2S)4(H2O)9]·2H 2O, (I), crystallizes with four symmetry-independent four-coordinated LiI cations and four independent HTBA- anions. The structure contains two structurally non-equivalent LiI cations and two non-equivalent HTBA- anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between LiI cations. Discrete [Li4(HTBA)4(H2O)9] ·2H2O complexes form two-dimensional layers. Neighbouring layers are connected via hydrogen-bonding interactions, resulting in a three-dimensional network. Poly[μ2-aqua-tetraaqua(μ4-2- thiobarbiturato-κ4 O:O:S:S)(μ2-thiobarbiturato- κ2 O:S)disodium(I)], [Na2(C4H 3N2O2S)2(H2O) 5] n , (II), crystallizes with six-coordinated NaI cations. The octahedra are pairwise connected through edge-sharing by a water O atom and an O atom from the μ4-HTBA- ligand, and these pairs are further top-shared by the S atoms to form continuous chains along the a direction. Two independent HTBA- ligands integrate the chains to give a three-dimensional network. © 2013 International Union of Crystallography.

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Держатели документа:
Siberian State Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич
}
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14.

    The 5-(isopropylidene)-2-thiobarbituric acid: Preparation, crystal structure, thermal stability and IR-characterization / N. N. Golovnev [et al.] // J. Mol. Struct. - 2014. - Vol. 1068. - P. 216-221, DOI 10.1016/j.molstruc.2014.04.024. - 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. . - ISSN 0022-2860. - ISSN 1872-8014
   Перевод заглавия: 5-(изопропилиден)-2-тиобарбитуровая кислота: Синтез, кристаллическая структура, термическая стабильность и ИК характеризация

РУБ Chemistry, Physical
Рубрики:
2-THIOBARBITURIC ACID
COMPLEXES
DERIVATIVES
Кл.слова (ненормированные):
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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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Krasnoyarsk Sci Ctr SD RAS, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Tarasova, L. S.; Atuchin, V. V.; Vladimirova, N. I.
}
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15.

Vasil'ev, A. D.
Sparfloxacindium tetrabromidocuprate(II) monohydrate crystal structure / A. D. Vasil'ev, N. N. Golovnev // Russ. J. Inorg. Chem. - 2014. - Vol. 59, Is. 4. - P. 322-325, DOI 10.1134/S0036023614040214. - Cited References: 18 . - ISSN 0036-0236. - ISSN 1531-8613

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
COMPLEXES
QUINOLONE
Аннотация: Structure solution has been carried out for a compound containing doubly charged sparfloxacindium cation, namely ((C19H24F2N4O3)[CuBr4] · H2O (I), where C19H22F2N4O3 is sparfloxacin. The crystals of I are orthorhombic with a = 14.533(4) Å, b = 12.557(4) Å, c = 29.370(9) Å, V = 2360(3) Å3, space group Pbca, Z = 8. In compound I, unlike in similar compounds of other fluoroquinolones, the second proton is attached to the sparfloxacin through the amino nitrogen atom instead of being attached through the ketone oxygen atom. This specific protonation feature of SfH is manifested in the specifics of supramolecular organization of I.

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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура моногидрата тетрабромидокупрата(II) спарфлоксациндиума [Текст] / А. Д. Васильев, Н. Н. Головнев // Ж. неорган. химии : Наука, 2014. - Т. 59 №4. - С. 477-480

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич
}
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16.

Chemistry of vinylidene complexes. XXII. Synthesis and physicochemical properties of the binuclear vinylidene complex [Cp(CO)(2)ReCu(mu-C=CHPh)(mu-Cl)](2). Molecular structure of the new rheniumcopper complex / O. S. Chudin [et al.] // J. Organomet. Chem. - 2014. - Vol. 757. - P. 57-61, DOI 10.1016/j.jorganchem.2013.12.050. - Cited References: 19. - This work was financially supported by the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 8.15). . - ISSN 0022-328X. - ISSN 1872-8561

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
LIGANDS
Кл.слова (ненормированные):
Rhenium -- Copper -- Vinylidene complexes -- Heterometallic complexes -- X-ray structure -- Cyclic voltammetry
Аннотация: The interaction between Cp(CO)2ReCCHPh (1) and CuCl results in the new heterometallic μ-vinylidene complex [Cp(CO)2ReCu(μ2-CCHPh)(μ2-Cl)]2 (2) characterized earlier by IR and 1H, 13C NMR spectra. The molecular structure of compound 2 has been determined by X-ray diffraction analysis, revealing a dimer structure with two binuclear fragments linked to each other by asymmetric chloride bridges. The electrochemical behavior of 2 in acetonitrile was studied by cyclic voltammetry at a Pt-electrode.

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Держатели документа:
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, Inst Phys, Krasnoyarsk 660036, Russia
RAS, Siberian Branch, Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia;КНЦ СО РАНИХХТ СО РАН;

Доп.точки доступа:
Chudin, O. S.; Verpekin, V. V.; Burmakina, G. V.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Pavlenko, N. I.; Rubaylo, A. I.; Presidium of the Russian Academy of Sciences [8.15]
}
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17.

Neutral pentacoordinate silicon complexes with SiO2FC skeleton:. Synthesis, structural characterization and stereodynamical behavior / M. G. Voronkov [et al.] // J. Organomet. Chem. - 2014. - Vol. 768. - P. 10-14, DOI 10.1016/j.jorganchem.2014.05.025. - Cited References: 31. - We thank the Found of President of Russian Federation (Science Schools' Grant - 3649.2014.3) and Russian Foundation for Basic Research (No. 14-03-31381 \14) for financial support. We thank Prof. Bagrat Shainyan (Irkutsk Institute of Chemistry) for calculation SUP19/SUPF NMR spectra and helpful discussion and Dr. Svetlana Kirpichenko (Irkutsk Institute of Chemistry) for all the help rendered. . - ISSN 0022-328X. - ISSN 1872-8561

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
1,3-DIOXA-6-AZA-2-SILACYCLOOCTANES
   DIETHANOLAMINES
   DERIVATIVES
   SILATRANES
   REACTIVITY
   NITROGEN
   ELEMENTS
Кл.слова (ненормированные):
Pentacoordinate silicon -- 1-Fluoro-1-aryl-5-methylquasisilatranes -- Synthesis -- X-ray diffraction
Аннотация: A series of new pentacoordinate intramolecular organosilicon complexes F(Ar)Si(OCH2CH2)2NMe (Ar = 4-MeC6H4 (1), 4-MeOC6H4 (2), 4-ClC6H4 (3), 2-BrC6H4 (4), 3-NO2C6H4 (5)) has been synthesized by transsilylation of aryltrifluorosilanes ArSiF3 by N-methyl-bis(2-trimethylsiloxyethyl)amine. Compounds 1–5 have been fully characterized by 1H, 13C, 19F, 29Si NMR spectroscopy and X-ray diffraction analysis (for compound 3). Variable-temperature 19F NMR studies of 5 indicate stereodynamic process of the ligand exchange with activation barrier Δ G c ≠ of 13.1 kcal mol−1.

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Держатели документа:
Russian Acad Sci, Siberian Branch, AE Favorsky Irkutsk Inst Chem, Irkutsk 664033, Russia
East Siberian State Acad Educ, Irkutsk 664011, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Voronkov, M. G.; Воронков, Михаил Григорьевич; Grebneva, E. A.; Albanov, A. I.; Zel'bst, E. A.; Зельбст, Элеонора Абрамовна; Trofimova, O. M.; Трофимова, Ольга Михайловна; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Chernov, N. F.; Timofeeva, E. N.; Found of President of Russian Federation [3649.2014.3]; Russian Foundation for Basic Research [14-03-31381 \14]
}
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18.

Golovnev, N. N.
Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato)dieuropium(III) [Text] / N. N. Golovnev, M. S. Molokeev // Russ. J. Coord. Chem. - 2014. - Vol. 40, Is. 9. - P. 648-652, DOI 10.1134/S1070328414090036. - 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. . - ISSN 1070-3284. - ISSN 1608-3318

РУБ Chemistry, Inorganic & Nuclear
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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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура полимерного гексааква-гексакис(2-тиобарбитурато)-диевропия(III) [Текст] / Н. Н. Головнев, М. С. Молокеев // Координ. химия : Наука, 2014. - Т. 40 № 9. - С. 564-568

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Головнёв, Николай Николаевич; Ministry of Education and Science of the Russian Federation
}
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19.

Chemistry of vinylidene complexes. XXIII. Binuclear rhenium-palladium vinylidene bridged complexes, their reactions with diiron nonacarbonyl / V. V. Verpekin [et al.] // J. Organomet. Chem. - 2014. - Vol. 770. - P. 42-50, DOI 10.1016/j.jorganchem.2014.07.024. - Cited References: 56. - This article is dedicated to the memory of Alla B. Antonova. . - ISSN 0022-328X. - ISSN 1872-8561

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
TRANSITION-METAL-COMPLEXES
   CATIONIC CARBYNE COMPLEXES
   RAY CRYSTAL-STRUCTURE
   MOLECULAR-STRUCTURE
   HETEROBIMETALLIC COMPLEXES
   LIGANDS
   MANGANESE
   CLUSTERS
   DINUCLEAR
   PD2CL2(MU-PH2PCH2PPH2)2
Кл.слова (ненормированные):
Rhenium -- Palladium -- Iron -- Vinylidene complexes -- Heterometallic complexes
Аннотация: The reaction of [Cp(CO)2ReCCHPh] (1) with [Pd(PPh3)4] followed by the treatment of resulting [Cp(CO)2RePd(μ-CCHPh)(PPh3)2] (2) with diphosphines (dppe, dppp) gave new complexes [Cp(CO)2RePd(μ-CCHPh)(dppe)] (3) and [Cp(CO)2RePd(μ-CCHPh)(dppp)] (4). Treatment of the synthesized complexes with [Fe2(CO)9] led to mixtures of [Cp(CO)2ReFe(μ-CCHPh)(CO)4] (5), [(dppe)PdFe2(CO)8] (6), [CpReFe2(μ3-CCHPh)(CO)8] (7), [CpReFePd(μ3-CCHPh)(CO)5(dppe)] (8) and of 5, [(dppp)PdFe2(CO)8] (9), [CpReFePd(μ3-CCHPh)(CO)5(dppp)] (10), respectively. The main products of both reactions were trinuclear μ3-vinylidene clusters 8 and 10. Reactions of the trinuclear μ3-vinylidene ReFePd clusters 8 and 10 with Fe2(CO)9 were also studied. New complexes were characterized by IR, 1H, 13C, 31P NMR spectroscopy and cyclic voltammetry. The structure of [CpReFe2(μ3-CCHPh)(CO)8] was determined by single-crystal X-ray diffraction.

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
RAS, Siberian Branch, Krasnoyarsk Sci Ctr, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Verpekin, V. V.; Верпекин В. В.; Kondrasenko, A. A.; Кондрасенко, Александр Александрович; Chudin, O. S.; Чудин О. С.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Burmakina, G. V.; Бурмакина Г. В.; Pavlenko, N. I.; Павленко, Нина Ивановна; Rubaylo, A. I.; Рубайло, Анатолий Иосифович
}
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20.

A complex of ceftriaxone with Pb(II): synthesis, characterization, and antibacterial activity study / A. O. Lykhin [et al.] // J. Coord. Chem. - 2014. - Vol. 67, Is. 16. - З. 2783-2794, DOI 10.1080/00958972.2014.938065. - 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. . - ISSN 0095-8972. - ISSN 1029-0389

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
BETA-LACTAM ANTIBIOTICS
   TERNARY COMPLEX
   METAL-COMPLEXES
   BASIS-SETS
   3 DECADES
   RESISTANCE
   COPPER(II)
   CEPHALOSPORINS
   EVOLUTION
   1ST-ROW
Кл.слова (ненормированные):
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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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk, Russia
Siberian State Aerosp Univ, Informat Sci & Telecommun Inst, Krasnoyarsk, Russia
Russian Acad Sci, LV Kirensky Inst Phys, Siberian Branch, Krasnoyarsk, Russia
Siberian State Technol Univ, Dept Phys, Krasnoyarsk, Russia
Univ Nevada, Dept Chem, Reno, NV 89557 USA

Доп.точки доступа:
Lykhin, A. O.; Лыхин А. О.; Novikova, G. V.; Новикова Г. В.; Kuzubov, A. A.; Кузубов, Александр Александрович; Staloverova, N. A.; Сталоверова Н. А.; Sarmatova, N. I.; Сарматова Н. И.; Varganov, S. A.; Варганов, Сергей Александрович; Krasnov, P. O.; Краснов, Павел Олегович; RFBR [14-03-31, 170 MOJI_a]
}
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