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1.
V. M. Zainullina V. P. Zhukov V. G. Zubkov A. P. Tyutyunnik 《Journal of Structural Chemistry》1998,39(5):627-635
The electronic structure of oxoniobate Sr4Nb17O26 is studied by the linear muffintin orbital (LMTO) method. It is shown that the highenergy conduction band consists of the
Nb4d states and the hybridized valence band is formed by the Nb4d and O2p states. The band structure of this compound is characterized
by superposition of the bands of the 2p states of perovskite oxygen atoms and the 4d states of monoxide niobium atoms. The
degree of oxidation of the perovskite and monoxide niobium atoms is +5 and +2.56, respectively. Chemical bonding is analyzed
using the electron localization function and model Hückel calculations. The niobiumoxygen bond is shown to be the strongest.
The Fermi level is localized in the vicinity of the bottom of the niobium antibonding state band, which explains the existence
of Sr4−xNb17O26 in the homogeneity region corresponding to 0 < x < 0.3.
Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 5, pp. 771–780, September–October, 1998.
This work was supported by RFFR grant No. 96-03-32015a. 相似文献
2.
O. A. Tyutyunnik M. L. Getsina E. S. Toropchenova I. V. Kubrakova 《Journal of Analytical Chemistry》2013,68(5):377-385
Methods have been developed for the preparation of samples containing organic matrices (natural high-color waters, soils, bottom sediments, aquatic organism tissue) to the determination of mercury and other toxic elements (As, Cd, Pb, Se) by different procedures of microwave digestion under elevated pressure (closed systems, vessels with partial removal of the gas phase). It is found that, under optimal oxidative and temperature-time conditions, the partial removal of the gas phase does not lead to losses of volatile elements if sample portions under 2 g are used. The duration of preparation of a series of samples does not exceed 40 min. The detection limits for mercury in the cold vapor atomic absorption spectrometry and for Cd, Pb, As, and Se by electrothermal atomic absorption spectrometry are 5 and 0.13, 6, 13, and 13 μg/kg, respectively. The accuracy of determination is confirmed by the results of analysis of certified reference materials of water and plant materials and also by the standard addition method. The selected conditions of preparation of sludge samples have ensured the determination of mercury by the cold vapor atomic absorption spectrometry in drinking, natural, and sewage waters with a detection limit of 0.07 μg/L. 相似文献
3.
S. P. Khranenko E. A. Bykova K. V. Yusenko A. P. Tyutyunnik S. A. Gromilov 《Journal of Structural Chemistry》2013,54(5):931-936
X-ray crystallographic analysis is used to determine the crystal structures of [Ru(NH3)6](MoO4)Cl·3H2O and [M(NH3)6](ReO4)3·2H2O (M = Ru, Ir) complex salts. The features of the fragment packing are studied. 相似文献
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Patterns of small-angle scattering that appear in thin AgCl films containing granular silver upon the formation of spontaneous periodic structures by p-polarized and circularly polarized laser beams (He-Ne laser, P=8 mW, λ = 632.8 nm) are studied. It is found that, at angles of incidence exceeding 4° regardless of the type of polarization, the diffraction of the waveguide modes excited by the dominant C gratings from neighboring microgratings with the vectors K ≠ K c dominantly contributes to the small-angle scattering. In the case of circularly polarized light, the pattern of small-angle scattering becomes more complicated as a result of the formation of S ? gratings and related secondary regular gratings. 相似文献
6.
N. V. Tarakina A. P. Tyutyunnik T. V. D'yachkova V. G. Zubkov Yu. G. Zainulin M. J. Sayagues G. Svensson 《Journal of Structural Chemistry》2003,44(2):252-255
Phase formation at high pressures and temperatures were studied in the MnO–Nb(Ta)2O5 system. New rhombohedral modifications of Mn4Nb2O9 and Mn4Ta2O9, two new modifications of MnTa2O6, and two modifications of Mn2Ta2O7 were obtained. They were structurally identified. 相似文献
7.
N. I. Kadyrova Yu. G. Zaynulin A. P. Tyutyunnik N. V. Melnikova A. V. Korolev 《Russian Journal of Inorganic Chemistry》2011,56(12):1870-1874
Perovskite-related oxide Tm x Cu3V4O12 (space group Im \(\bar 3\), Z = 2, a = 7.262?7.273 Å) with vacancies in the cationic sublattice has been prepared for the first time under barothermal conditions (p = 7.0?9.0 GPa, T = 900?1100°C). Electric resistivity (10–300 K) and magnetic susceptibility (0–300 K) were studied as a function of temperature. Tm x Cu3V4O12 is shown to have a metallic conductivity and paramagnetism. 相似文献
8.
A. P. Tyutyunnik V. N. Krasil’nikov I. F. Berger V. G. Zubkov L. A. Perelyaeva I. V. Baklanova 《Russian Journal of Inorganic Chemistry》2011,56(8):1168-1177
The vanadium(V) complexes K[VO2(SeO4)(H2O)] and K[VO2(SeO4)(H2O)2] · H2O were synthesized using original procedures; their physicochemical properties were studied, and the crystal structure was
determined on the basis of X-ray diffraction and neutron diffraction data. The structure of K[VO2(SeO4)(H2O)2] · H2O is composed of VO6 octahedra connected to form infinite chains by bridging SeO4 tetrahedra. Each VO6 tetrahedron has short terminal V-O bonds forming the bent dioxovanadium group VO2+ The unit cell parameters of K[VO2(SeO4)(H2O)2] · H2O are a = 6.4045(1) ?, b = 9.9721(2) ?, c = 6.6104(1) ?, β = 107.183(1)°, V = 403.34 ?3, Z = 2, monoclinic system, space group P21. The complex K[VO2(SeO4)(H2O)] forms a two-dimensional layered structure composed of highly distorted VO6 octahedra having two short terminal V-O bonds and SeO4 groups coordinated simultaneously by three vanadium atoms. This compound crystallizes in the monoclinic system (space group
P21/c): a = 7.3783(1) ?, b = 10.5550(2) ?, c = 10.3460(2) ?, β = 131.625(1)°, V = 602.894(5) ?3, Z= 4. The vibrational spectra of the studied compounds are fully consistent with their structural features. 相似文献
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