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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) : Vasiliev A. D., Zel'bst E. A., Soldatenko A. S., Bolgova Yu.I., Trofimova O. M., Voronkov M. G.
Заглавие : Synthesis and molecular structure of cobalt(II) complex with 1-(1-silatranylmethyl)-1,2,4-triazole
Место публикации : Struct. Chem.: Springer/Plenum Publishers, 2013. - Vol. 24, Is. 4. - P.1001-1005. - ISSN 1040-0400, DOI 10.1007/s11224-012-0121-0
Примечания : Cited References: 24
Предметные рубрики: REACTIVITY
DERIVATIVES
CRYSTAL
SPECTRA
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li-I and Na-I
Место публикации : Acta Crystallogr. C: Wiley-Blackwell, 2013. - Vol. 69, Pt. 7. - P.704-708. - ISSN 0108-2701, DOI 10.1107/S0108270113014078
Примечания : Cited References: 26
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A. B., Chudin O. S., Vasiliev A. D., Rubaylo A. I., Verpekin V. V., Sokolenko W. A., Pavlenko N. I., Semeikin O. V.
Заглавие : 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
Место публикации : J. Organomet. Chem.: Elsevier, 2011. - Vol. 696, Is. 4. - P.963-970. - ISSN 0022-328X, DOI 10.1016/j.jorganchem.2010.10.035
Примечания : 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.
Предметные рубрики: MOLECULAR-STRUCTURE
ORGANOMETALLIC CHEMISTRY
TRICARBONYL COMPLEXES
UNSATURATED CARBENES
METAL VINYLIDENES
TRANSITION-METALS
ORGANIC-SYNTHESIS
CRYSTAL-STRUCTURE
IRON TRICARBONYL
MANGANESE
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A. B., Verpekin V. V., Chudin O. S., Vasiliev A. D., Pavlenko N. I., Sokolenko W. A., Rubaylo A. I., Semeikin O. V.
Заглавие : Chemistry of vinylidene complexes. XXI. Synthesis, spectroscopic and structural study of the RePt and MnPt μ–vinylidene complexes
Место публикации : Inorg. Chim. Acta. - 2013. - Vol. 394. - P.328–336. - DOI 10.1016/j.ica.2012.06.038
Примечания : Cited References: 48
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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereschagin S. N., Atuchin V. V.
Заглавие : 2-Thiobarbiturate complexes of Ca(II): synthesis, crystal structure and thermal properties
Коллективы : International Conference on the Advancement of Materials and Nanotechnology (3; 2013 ; Nov. ; 19-22; Penang, Malaysia)
Место публикации : 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013): Programme and abstracts book. - 2013. - P.157
Ключевые слова (''Своб.индексиров.''): calcium--2-thiobarbituric acid--crystal structure--thermal decomposition--ir spectroscopy
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of catena-di(2-thiobarbiturato-O, S) aqualead(II)
Место публикации : J. Struct. Chem.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2013. - Vol. 54, Is. 5. - P.968-971. - ISSN 0022-4766, DOI 10.1134/S0022476613050193
Примечания : Cited References: 16
Предметные рубрики: THIOBARBITURIC ACID COMPLEXES
COLLECTION
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krasnov P. O., Eliseeva N. S., Kuzubov A. A.
Заглавие : Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 1. - P.80-84. - ISSN 1063-7761, DOI 10.1134/S1063776111160059. - ISSN 1090-6509
Примечания : 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).
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin S. N., Atuchin V. V., Sidorenko M. Y., Dmitrushkov M. S.
Заглавие : 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)
Место публикации : Polyhedron: PERGAMON-ELSEVIER SCIENCE LTD, 2014. - Vol. 70. - P.71-76. - ISSN 0277-5387, DOI 10.1016/j.poly.2013.12.021
Примечания : Cited References: 32
Предметные рубрики: 2-THIOBARBITURIC ACID
THIOBARBITURIC ACID
COLLECTION
POLYMERS
Ключевые слова (''Своб.индексиров.''): 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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S.
Заглавие : Crystal structure of catena-(2-thiobarbiturato) dithallium(I)
Место публикации : J. Struct. Chem.: Springer, 2014. - Vol. 55, Is. 1. - P.125-129. - ISSN 0022-4766, DOI 10.1134/S002247661401020X. - ISSN 1573-8779
Примечания : 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)
Предметные рубрики: THIOBARBITURIC ACID COMPLEXES
COLLECTION
Ключевые слова (''Своб.индексиров.''): 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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