Центральная Научная Библиотека УрО РАН

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   A 29

    Akashev, L. A.
    Optical Properties of Liquid Aluminum and Al–Ce Alloy / L. A. Akashev, V. I. Kononenko // High Temperature (Translation of Teplofizika Vysokikh Temperatur). - 2001. - Vol. 39, № 3. - P. 384-387 : il. - Bibliogr. : p. 387 (14 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СВОЙСТВА ОПТИЧЕСКИЕ -- АЛЮМИНИЙ ЖИДКИЙ -- СПЛАВЫ -- ЦЕРИЙ
Аннотация: The Beattie ellipsometric method is used to investigate the index of refraction and the absorption coefficient of liquid aluminum and Al–3 at. % Ce alloy in the wavelength range from 0.44 to 2.3 mm at a temperature of 1173 K. The experimental results are used to calculate the dispersion dependences of light conductance, reflectivity, and functions of characteristic loss of electron energy. The results of measurements in the infrared (IR) spectrum are used to determine the concentration of conduction electrons, plasma frequency, relaxation frequency, and the limiting light conductance. It turns out that an addition of 3 at. % Ce to aluminum causes almost no change in the concentration of charge carriers, whereas the relaxation frequency increases, which leads to a decrease in the electrical conductivity of the liquid alloy

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   B 33

    Bazuev, G. V.
    A new class of compounds with unusual magnetic behaviour: quasi-one-dimensional complex oxides of the A3n+3mAn'B3m+nO9m+6n family [Текст] / G. V. Bazuev // Russian Chemical Reviews. - 2006. - Vol. 75, № 9. - С. 749-763

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ

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   B 33

    Bazuev, G. V.
    Synthesis and Magnetic Properties of Quasi-Unidimensional Oxide Sr6.3Rh2.35Mn2.35O15 / G. V. Bazuev, T. I. Chupakhina, M. A. Melkozerova // Russian Journal of General Chemistry. - 2008. - Vol. 78, № 10. - P1843-1848 : il. - Bibliogr. : p. 1847-1848 (33 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КВАЗИОДНОМЕРНЫЕ ОКСИДЫ -- МАГНИТНЫЕ СВОЙСТВА
Аннотация: Attempts of the synthesis in air of complex oxides Sr3RhMnOx and Sr4Rh1.5Mn1.5Ox resulted in revealing formation of a new oxide phase Sr6.3Rh2.35Mn2.35O9 related to quasi-unidimensional family A3n+3mA'nВ3m+nO9m+6n at n = 1 and m = 1. Its structural characteristics and magnetic properties are studied. X-ray data of the obtained phase is indicated on the basis of trigonal cell (spatial group P321) with the parameters: a 9.6239(4) Å; с1 4.1130(4) Å, с2 2.4946(2) Å. Manganese and rhodium exist in the compound as the cations Mn4+, Rh3+ and Rh4+, as follows from the data of measuring of magnetic susceptibility in the range 2–300 K

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   C 91


    Crystal structure of Pb2[Fe(CN)6]NO3·5.5H2O [Текст] / S. A. Gromilov, I. A. Baidina, T. A. Denisova, L. G. Maksimova // Journal of Structural Chemistry. - 2005. - Vol. 46, № 1. - С. 116-121. - Библиогр. : с. 121 (10 назв.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ЖЕЛЕЗО ТРЕХВАЛЕНТНОЕ -- РЕНТГЕНОСТРУКТУРНЫЙ АНАЛИЗ -- КРИСТАЛЛОХИМИЯ
Аннотация: Synthesis of a mixed complex compound Pb2[Fe(CN)6]NO3��5.5H2O is described. The results of its X-ray structural investigation are presented. Crystal data: C6H11FeN7O8.50Pb2: a = 7.2582(6) Å, b = 21.838(3) Å, c = 11.612(1) Å; beta = 107.91(1), V = 1751.4(3) Å3, Z = 4, dcalc = 2.986 g/cm3, space group P21/m, R = 0.038. The compound has a framework polymer structure

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   D 26

    Davydov, D. A.
    Neutron Diffraction Analysis of a Defect Vanadium Monoxide Close to the Equiatomic Vanadium Monoxide / D. A. Davydov, A. I. Gusev, A. A. Rempel // JETP Letters. - 2009. - Vol. 89, № 4. - P194-199 : il. - Bibliogr. : p. 198-199 (24 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МОНООКСИД ВАНАДИЯ -- НЕСТЕХИОМЕТРИЯ
Аннотация: Neutron and X-ray diffraction analyses are applied to studying the defect structure of synthesis-temperature quenched and low-temperature annealed vanadium monoxides VO (0.90≤y≤0.97) close to the equiatomic monoxide VO1.0. It is found that the monoxides VO0.90 and VO0.97 contain structural vacancies not only in the oxygen sublattice, but also in the metal sublattice. In addition to the cubic disordered phase VOy with the structure B1, the monoclinic superstructure V14O6 with space group C2/m is present in the synthesized VO0.90 sample and in the annealed VO0.90 and VO0.97 samples. The formation of the V14O6 superstructure is attributed to the ordering of oxygen atoms and nonmetal vacancies in the lattice of the tetragonal solid solution of oxygen in vanadium. No simultaneous ordering of metal and oxygen vacancies in two sublattices of the cubic vanadium is observed

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   D 30


    Defect interactions in La0.3Sr0.7Fe(M')O3-delta (M' = Al, Ga) perovskites: Atomistic simulations and analysis of p(O2)-T-delta diagrams [] = Defect interactions in La0.3Sr0.7Fe(M')O3-delta (M' = Al, Ga) perovskites: Atomistic simulations and analysis of p(O2)-T-delta diagrams / E. N. Naumovich, M. V. Patrakeev, V. V. Kharton, M. S. Islam, A. A. Yaremchenko, J. R. Frade, F. M. B. Marques // Solid State Ionics. - 2006. - V. 177, N 5-6. - С. 457-470. - Библиогр.: с. 469-470 (39 назв.) . - ISSN 0167-2738

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КИСЛОРОДНАЯ НЕСТЕХИОМЕТРИЯ -- НЕСТЕХИОМЕТРИЯ КИСЛОРОДНАЯ -- ДЕФЕКТЫ -- ФЕРРИТЫ -- ПЕРОВСКИТЫ -- МОДЕЛИРОВАНИЕ -- ТЕРМОДИНАМИКА -- ОКСИДЫ -- ЛЕГИРОВАНИЕ -- ДОБАВКИ
Аннотация: Atomistic modelling showed that a key factor affecting the p(O2) dependencies of point defect chemical potentials in perovskite-type La0.3Sr0.7Fe1-xM'xO3-delta (M' = Ga, Al; x = 0-0.4) under oxidizing conditions, relates to the coulombic repulsion between oxygen vacancies and/or electron holes. The configurations of A- and B-site cations with stable oxidation states have no essential influence on energetics of the mobile charge carriers, whereas the electrons formed due to iron disproportionation are expected to form defect pair clusters with oxygen vacancies. These results were used to develop thermodynamic models, adequately describing the p(O2)-T-delta diagrams of La0.3Sr0.7Fe(M')O3-delta determined by the coulometric titration technique at 923-1223 K in the oxygen partial pressure range from 1 x 10(-5) to 0.5 atm. The thermodynamic functions governing the oxygen intercalation process were found independent of the defect concentration.
Doping with aluminum and gallium leads to increasing oxygen deficiency and induces substantial changes in the behavior of iron cations, increasing the tendencies to disproportionation and hole localization. Despite similar oxygen nonstoichiometry in the Al- and Ga-substituted ferrites at a given dopant content, the latter tendency is more pronounced in the case of aluminum-containing perovskites

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   D 46


    Desulfurization of recycled vanadium-bearing raw materials [Text] / A. V. Sirin, T. I. Krasnenko, V. G. Mizin, T. P. Sirina, M. V. Rotermel', O. S. Pozdnyakova // Metallurgist . - 2006. - Vol. 50, № 11-12. - P565-570. - Библиогр. : с. 570 (6 назв.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ДЕСУЛЬФУРАЦИЯ -- ВАНАДИЕВОЕ СЫРЬЕ
Аннотация: A study of model systems that include sodium vanadate, sulfates of nickel, iron, and calcium, and a soda solution made it possible to determine the optimum parameters for desulfurizing high-sulfur wastes formed in the operation of heating and power plants. It is shown that when Ni/V = 0.15–0.33 and Fe/V = 0.5–0.75, 98% of the vanadium and 99.8% of the nickel are precipitated and sulfur content is no greater than 0.2 mass%. This has made it possible to obtain concentrates suitable for the smelting of complex alloys

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   E 27


    Effect of heat treatment on the electronic spectrum and mechanical properties of BeO ceramics [Text] / M. A. Gorbunova, V. S. Kiiko, A. A. Sofronov, Yu. N. Makurin, A. L. Ivanovskii // Inorganic Materials. - 2006. - Vol. 42, № 10. - P1168-1170. - Библиогр. : с. 1170 (17 назв.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ТЕРМООБРАБОТКА -- ОКСИД БЕРИЛЛИЯ -- КЕРАМИКА
Аннотация: The full-potential linear mufin-tin orbital method with a generalized gradient approximation, in conjunction with experimental structural data obtained for BeO ceramics during heatingncooling cycles, was used to analyze the effect of heat treatment on the electronic structure of BeO and to evaluate the thermal expansion coefficients and bulk modulus of BeO ceramics. According to the calculation results, BeO remains a widegap semiconductor in the range 80n300 K, and its band gap varies by no more than ~0.02 eV. The bulk modulus of BeO ceramics (~170 GPa) is 18n25% lower than that of single-crystal BeO.

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   G 61

    Golovkin, B. G.
    Phase equilibria in the CaO-CuO-Cu2O-MnO-MnO2 system at 900-1400°C in air [Текст] / B. G. Golovkin, G. V. Bazuev // Russian Journal of General Chemistry. - 2007. - Vol. 77, № 10. - С. 1662-1668. - Библиогр. : с. 1667 (37 назв.)

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Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Phase equilibria in the CaO-CuO-Cu2O-MnO-MnO2 system at 900-1400C in air were examined on the basis of published and newly obtained data. No new compounds were revealed.The results are presented in the form of 12 isothermal sections of the phase diagram.

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10.

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   G 61

    Golovkin, B. G.
    Phase Equilibria in the System CaO–CoO–Co2O3–MnO–MnO2 / B. G. Golovkin, G. V. Bazuev // Russian Journal of General Chemistry. - 2010. - Vol. 80, № 2. - P213-218 : il. - Bibliogr. : p. 217-218 (39 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФАЗОВОЕ РАВНОВЕСИЕ -- ОКСИДНЫЕ СИСТЕМЫ
Аннотация: Phase equilibria in the system CaO–CoO–Co2O3–MnO–MnO2 at 700–1200°С in air were studied on the basis of published data and proper experiments. No new compounds were found. The results are presented in the form of 13 isothermal sections of the phase diagram

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11.

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   H 99


    Ionic and electronic conductivity of La9.83-xPrxSi4.5Fe1.5O26 + or - delta apatites [] = Ionic and electronic conductivity of La9.83-xPrxSi4.5Fe1.5O26 + or - delta apatites / A. A. Yaremchenko, A. L. Shaula, V. V. Kharton, J. C. Waerenborgh, D. P. Rojas, M. V. Patrakeev, F. M. B. Marques // Solid State Ionics. - 2004. - V. 171, N 1-2. - С. 51-59. - Библиогр.: с. 59 (30 назв.) . - ISSN 0167-2738

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
АПАТИТЫ -- ИОННАЯ ПРОВОДИМОСТЬ -- ПРОВОДИМОСТЬ ИОННАЯ -- ЧИСЛА ПЕРЕНОСА -- ЭЛЕКТРОННАЯ ПРОВОДИМОСТЬ -- ПРОВОДИМОСТЬ ЭЛЕКТРОННАЯ -- ИМПЕДАНС -- ТВЕРДЫЕ ЭЛЕКТРОЛИТЫ -- ЭЛЕКТРОЛИТЫ ТВЕРДЫЕ -- ОКСИДЫ -- МЕССБАУЭРОВСКАЯ СПЕКТРОСКОПИЯ -- СПЕКТРОСКОПИЯ МЕССБАУЭРОВСКАЯ
Аннотация: The incorporation of praseodymium in the apatite-type lattice of La9.83-xPrxSi4.5Fe1.5O26 + or - delta (x = 0-6) decreases the unit cell volume, suppresses Fe4+ formation according to Mossbauer spectroscopy, and increases p- and n-type electronic contributions to total conductivity, studied by the impedance spectroscopy and modified faradaic efficiency (FE) and electromotive force (EMF) methods at 973-1223 K. The additions of praseodymia have no essential effect on the ionic transport, with an activation energy of 99-109 kJ/mol, under oxidizing conditions. Contrary to the Al-containing analogue, La9.83Si4.5Al1.5O26, exhibiting p(O2)-independent conductivity at oxygen pressures from 10(-20) to 0.5 atm, the ionic conductivity of La9.83-xPrxSi4.5Fe1.5O26 + or - delta decreases on reducing p(O2) below 10(-14)-10(-12) atm. The observed behavior suggests a presence of hyperstoichiometric oxygen, critical for the level of ionic conduction and compensated by the formation of Fe4+ or
Pr4+. The ion transference numbers in air vary in the range 0.979-0.994 for La9.83-xPrxSi4.5Fe1.5O26+delta, whilst for La9.83Si4.5Al1.5O26 the p-type electronic contribution to the total conductivity is lower than 0.5%. The average thermal expansion coefficients (TECs) of silicate-based solid electrolytes are (8.8-9.4)x10(-6)K(-1) at 300-1200 K and (14.2-15.8)x10(-6)K(-1) at 1200-1350 K

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12.

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   K 49

    Kiselev, A. I.
    The Optical Properties of Light Rare-Earth Metals in the Liquid State / A. I. Kiselev, V. I. Kononenko, L. A. Akashev // High Temperature (Translation of Teplofizika Vysokikh Temperatur). - 2002. - Vol. 40, № 1. - P. 44-54 : il. - Bibliogr. : p. 53-54 (20 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СВОЙСТВА ОПТИЧЕСКИЕ -- РЗМ -- РЕДКОЗЕМЕЛЬНЫЕ МЕТАЛЛЫ -- ЖИДКИЕ РЗМ
Аннотация: The model of almost free electrons is used to analyze the experimentally obtained optical properties of liquid light rare-earth metals (REM) such as lanthanum, cerium, praseodymium, and neodymium. The electrons involved in interband transitions are divided into different groups. In so doing, the contribution by these groups of electrons to the light conductivity is taken into account. The problem of determining partial values of functions is solved in a graphic representation using the method of successive approximations, by variational selection of three parameters, namely, the height of peak, its position, and half-width. It is demonstrated that, in order to explain the experimentally obtained dispersion curves of light conductivity of liquid lanthanum and cerium, it is sufficient to divide the electrons involved in interband transitions into no more than eight groups and, in the case of praseodymium and neodymium, into no more than nine groups. The electron characteristics of these groups of excited states are given

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13.

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   K 93

    Kurlov, A. S.
    Magnetic susceptibility and thermal stability of particle size of nanocrystalline tungsten carbide WC [Текст] / A. S. Kurlov, S. Z. Nazarova, A. I. Gusev // Physics of the Solid State. - 2007. - Vol. 49, № 9. - С. 1780-1786. - Библиогр. : с. 1786 (13 назв.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МАГНИТНАЯ ВОСПРИИМЧИВОСТЬ -- ТЕРМИЧЕСКАЯ УСТОЙЧИВОСТЬ -- КАРБИД ВОЛЬФРАМА -- НАНОКРИСТАЛЛИЧЕСКИЕ КАРБИДЫ
Аннотация: The magnetic susceptibility χ of coarse-grained and nanocrystalline tungsten carbides was studied in the temperature range 300–1250 K. The temperature dependence of the susceptibility χ(T) of coarse-grained carbide WC is typical of weak Pauli paramagnets and has no specific features. The χ(T) dependence of nanocrystalline carbide (n-WC) in the range 550–920 K exhibits features associated with annealing of microstrains, which leads to a decrease in the contribution of orbital paramagnetism to the magnetic susceptibility of n-WC and initiates precipitation of minor impurities of iron and cobalt as superparamagnetic particles. A nanocrystalline n-WC powder retains a stable particle size of ~55 nm after long annealing at temperatures of 300 to 1200 K, whereas microstrains relax at 550–920 K

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14.

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   L 79

    Lipatnikov, A. N.
    Nitrogen oxide formation in a flame at slight deviations from equilibrium / A. N. Lipatnikov, I. P. Nazarov, V. N. Prostov // Fizika Goreniya i Vzryva. - 1988. - Vol. 24, № 4. - P. 29-31 : il. - Bibliogr. : p. 31 (10 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКСИД АЗОТА -- ВЗРЫВНЫЕ ФАЗЫ
Аннотация: The present study has compared two methods of calculating the rate of formation of NO from atmospheric nitrogen under nonequilibrium conditions. It has been shown that the two methods give similar results. The advantage of the partial equilibrium method is that only one differential equation need be solved and calculations can be performed for combustion of complex hydrocarbons for which the combustion mechanism has not been studied in detail

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15.

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   M 46

    Medvedeva, N. I.
    Electronic structure and properties of aurivillius phases / N. I. Medvedeva, V. A. Gubanov // Journal of Structural Chemistry. - 1996. - Vol. 37, № 3. - P409-416 : il. - Bibliogr. : p. 415-416 (23 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ФЛЮОРИТОПОДОБНАЯ СТРУКТУРА -- ОКСИД ВИСМУТА -- НИОБАТЫ -- ЛМТО МЕТОД
Аннотация: The electronic structure of compounds from the family of Aurivillius phases of the general formula Bi202[An_lBnO3n+l], where n is the number of perovs,Mte layers, was calculated by the ab initio LMTO-ASA method. For compounds with B = Nb, Ti; A = Ca, Sr, Ba, Bi, and n = 1, 2, variations of the electronic structure and properties depending on the number of perovskite units and on the varieties of A and B cations were studied. Effects of vacancy formation in the Bi202 layers and metal-oxygen planes are considered. The instability of Bi2NO0 6 is explained, and favorable positions for oxygen replacement by fluorine are found. The possibility of superconductivity in these compounds is considered

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16.

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   M 52

    Melkozerova, M. A.
    EPR Study of Quasi-One-Dimensional Complex OxidesA3n + 3m Mn3m + nO9m + 6n (A–Sr, Ba; A'–Mg, Zn, Cu) / M. A. Melkozerova, E. V. Zabolotskaya, G. V. Bazuev // Bulletin of the Russian Academy of Sciences: Physics. - 2009. - Vol. 73, № 9. - P. 1307-1311 : il. - Bibliogr. : p. 1310-1311 (19 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ОКСИДЫ КОМПЛЕКСНЫЕ -- ЭЛЕКТРОННЫЙ ПАРАМАГНИТНЫЙ РЕЗОНАНС -- ЭПР -- МАНГАНИТЫ
Аннотация: Exchange interactions in the quasi-one-dimensional complex oxides Sr4MgMn2O9, Ba6MgMn4O15, Ba8MgMn6O21, and Ba9M2Mn5O21 (M–Cu, Zn, Mg) have been studied by electron paramagnetic resonance. The temperature dependence of the spectral parameters showed that the exchange interaction is antiferromagnetic and occurs mainly inside the manganese-containing groups and to a lesser extent between them

\\\\Expert2\\nbo\\Bulletin of the Russian Academy of Sciences Physics\\2009, V. 73, N 9, P.1307-1311.pdf
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17.

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   M 52

    Melkozerova, M. A.
    Quasi-One-Dimensional Oxides Sr4Co3-xMnxO9 (0≤x≤3): Synthesis and Magnetic Properties / M. A. Melkozerova, G. V. Bazuev // Russian Journal of Inorganic Chemistry. - 2006. - Vol. 51, № 3. - P362-367 : il. - Bibliogr. : p. 367 (16 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КВАЗИОДНОМЕРНЫЕ ОКСИДЫ -- МАГНИТНАЯ ВОСПРИИМЧИВОСТЬ
Аннотация: Sr4Co3 –xMnxO9(0.5≤x≤2) solid solutions (ss), which belong to the family of quasi-one-dimensional oxides A3n+ 3mB3m+nO9m+ 6n (where A is an alkaline-earth element, A' is a 3d element, B is manganese), are prepared using citrate technology. The structures of the phases are described in terms of trigonal space group P321. A full-profile Rietveld analysis shows that the oxides are incommensurate. The structure is described as consisting of two subcells with identical a parameters but different c parameters. Magnetic susceptibility measurements in the range from 2 to 300 K are interpreted on the assumption of the existence of a spin-glass state

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18.

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   M 78


    Modeling of the Structure and Electronic Structure of Condensed Phases of Small Fullerenes C28 and Zn@C28 / A. N. Enyashin, V. V. Ivanovskaya, Yu. N. Makurin, A. L. Ivanovskii // Physics of the Solid State. - 2004. - Vol. 46, № 8. - P1569-1573 : il. - Bibliogr. : p. 1572-1573 (23 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КОНДЕНСИРОВАННЫЕ ФАЗЫ -- ФУЛЛЕРЕНЫ
Аннотация: A comparative analysis of the stability factors and electronic structure of two possible crystalline forms of small fullerene C28 and endohedral fullerene Zn@C28 with diamond and lonsdaleite structures is performed using a cluster model. Atoms of elements that, when placed inside C28 cages, have no significant effect on the stability of free small-fullerene molecules are shown to be able to dramatically change the electronic properties and reactivity of the C28 skeleton and to be favorable for forming small-fullerene crystalline modifications, which are covalent crystals. In contrast, if the presence of foreign atoms inside C28 cages stabilizes the isolated nanoparticles, then molecular crystals (such as C60 fullerites) are formed due to weak van der Waals forces

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19.

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   R 98

    Ryzhkov, M. V.
    Uranyl compounds and complexes: electronic structure, chemical bonding and spectral properties [] / M. V. Ryzhkov, V. A. Gubanov // Journal of Radioanalytical and Nuclear Chemistry. - 1990. - V. 143, N 1. - С. 85-92 . - ISSN 0236-5731

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СОЕДИНЕНИЯ УРАНИЛЬНЫЕ -- ФТОР -- УРАНИЛЬНЫЕ СОЕДИНЕНИЯ -- СВОЙСТВА СПЕКТРАЛЬНЫЕ -- СТРУКТУРА ЭЛЕКТРОННАЯ -- СВЯЗИ ХИМИЧЕСКИЕ -- U -- Cs -- F -- ХЛОР -- Cl -- СПЕКТРАЛЬНЫЕ СВОЙСТВА -- КВАНТОВАЯ ХИМИЯ -- ЭЛЕКТРОННАЯ СТРУКТУРА -- ХИМИЧЕСКИЕ СВЯЗИ -- МЕТОД ДИСКРЕТНОГО ВАРЬИРОВАНИЯ -- СПЕКТРЫ ФОТОЭЛЕКТРОННЫЕ -- ФОТОЭЛЕКТРОННЫЕ СПЕКТРЫ -- СПЕКТРЫ РЕНТГЕНОВСКИЕ -- РЕНТГЕНОВСКИЕ СПЕКТРЫ -- УРАН -- ЦЕЗИЙ
Аннотация: Проведено квантово-химическое изучение электронной структуры соединений гамма-UO3, Cs2UO2Cl4, UO2F4 и комплексов UO(2+)2 и UO2(NO3)2 * 2H2O с использованием дискретного вариационного метода в приближении Дирака-Слейтера и Хартри-Фока-Слейтера. Дана интерпретация фотоэлектронных рентгеновских спектров соединений гамма-UO3 и Cs2UO2Cl4 на основе метода МО. Изучены различные электронные состояния и химическая связь в соединениях уранила

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20.

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   S 89


    Structure and Catalytic Properties of a Cu2+-Containing Hydrogel of Zirconium Dioxide [Текст] / E. G. Kovaleva, L. S. Molochnikov, V. G. Kharchuk, O. V. Kuznetsova, A. B. Shishmakov, M. Yu. Yanchenko, L. Yu. Buldakova, I. N. Zhdanov, Yu. V. Mikushina, L. A. Petrov // Kinetics and Catalysis (Translation of Kinetika i Kataliz). - 2004. - Vol. 45, № 5. - С. 752-758. - Библиогр. : с. 758 (17 назв.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КАТАЛИТИЧЕСКИЕ СВОЙСТВА -- МЕДЬ ДВУХВАЛЕНТНАЯ -- ДИОКСИД ЦИРКОНИЯ
Аннотация: The distribution of Cu2+ ions in ZrO2 and sulfated ZrO2 hydrogel phases was studied by EPR spectroscopy and voltammetry. The formation of the following three types of copper structures was observed mononuclear Cu2+ complexes (A), magnetic associates (B), and Cu2+ compounds (C) that gave no EPR signals under the conditions used in the spectroscopic measurements. The specific catalytic activity of various Cu2+ compounds in the liquid-phase reaction of 2,3,5-trimethyl-1,4-hydroquinone oxidation was determined. The copper complexes C were found to exhibit the highest catalytic activity

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