A topological analysis of electron density and chemical bonding in cyclophosphazenes PnNnX2n (X = H, F, Cl; n = 2, 3, 4)

The restricted Hartree-Fock method was used to determine the cycle size effects on the geometric parameters of several inorganic templates, cyclophosphazenes P_nN_nX_2n (X = H, F, Cl; n = 2, 3, 4). A topological analysis of local electronic properties at the electron density critical points of bonds allowed us to quantitatively characterize the chemical bond in cyclophosphazenes and its dependence on the cycle size and substituents at phosphorus. The calculated distributions of the electron density Laplacian and electron pair localization functions revealed the special features of the electronic structure of the nitrogen and phosphorus atoms. These results explain the nature of noncovalent interactions between the P atoms of one cyclophosphazene molecule and the N atoms of the other.     

Stress relaxation and viscosity of a bulk Pd<Subscript>40</Subscript>Cu<Subscript>30</Subscript>Ni<Subscript>10</Subscript>P<Subscript>20</Subscript> metallic glass under isochronous heating conditions

Isochronous relaxation of tensile stresses is measured in a bulk Pd₄₀Cu₃₀Ni₁₀P₂₀ metallic glass in the initial state and after certain thermal treatments. The results of measurements are used to find the energy spectrum of irreversible structural relaxation, from which the temperature dependence of shear viscosity is then calculated. This dependence is also found independently from measurements of creep in the same glass. The calculated viscosity is shown to agree well with the experimental data.     

Distribution function and conductivity of a system of charged particles in linear response theory: The nonequilibrium statistical operator method and the kinetic equation method

Institute of High Temperatures, USSR Academy of Sciences. Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 86, No. 3, pp. 425–437, March, 1991.     

Catalytic activity of palladium-containing zeolites in the complete oxidation of benzene

The dependence of palladium distribution in zeolites on the temperature of thermal treatment has been established from the data on oxygen chemisorption and the statistical processing of electron micrographs. The influence of palladium distribution in zeolites on their catalytic activity towards the complete oxidation of benzene has been shown.

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Synthesis and transformations of 4-hydroxy-5-methyl-2-trifluoromethylpyridine

4-Hydroxy-5-methyl-2-trifluoromethylpyridine was synthesized from 3-hydroxy-3-methyl-6-trifluoromethyl-2,3-dihydro-4H-pyran-4-one. Its methylation leads to the formation of a mixture of N- and O-alkylation products, which were isolated chromatographically in the pure state. Convenient methods of their preparation are proposed.Belorussian State University, Minsk 220050. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 6, pp. 780–784, June, 1998.     

General and efficient insertion of carbons carrying benzotriazole

Anions formed from the lithiation of 1-(1-benzotriazolylalkyl)benzotriazoles (1, 6) and 1-(1-methylthioalkyl)benzotriazoles (10 and 10a) with n-BuLi underwent additions to cyclic and acyclic ketones giving intermediates 3a-f, 7b-f, and 11b-d, respectively, in excellent yields. Thermal rearrangements of intermediates 3a,b,d-f and 7b-d,f in the presence of zinc bromide provided one-carbon chain-extended or ring-expanded alpha-benzotriazolyl ketones 4a,b,d-f and 8b-d,f in moderate yields with excellent regioselectivity. By contrast, intermediates 11b-d on treatment with zinc bromide loose a molecule of benzotriazole followed by intramolecular cyclization of the resulting intermediates 12b-d to provide the 2,3- and 1,2,3-substituted indenes 13b-d in good yields.     

Analytical characteristics and sensitivity mechanisms of electrolyte-insulator-semiconductor system-based chemical sensors—a critical review

Recent trends in research and development of electrolyte-insulator-semiconductor (EIS) field-effect chemical sensors (ion-selective field-effect transistors, light-addressable potentiometric sensors, capacitive EIS-sensors) with inorganic gate insulators (oxide, nitride and chalcogenide films) are reviewed. Physical properties of EIS systems and basic mechanisms of their chemical sensitivity are examined. Analytical characteristics and sensing mechanisms of EIS pH sensors with oxide and nitride films, as well as metal ions sensors with chalcogenide films, are critically discussed. Prospects of future research on EIS field-effect biosensors are briefly outlined.     

Catalytic Steam Reforming of Methane: New Data on the Contribution of Homogeneous Radical Reactions in the Gas Phase: II. A Ruthenium Catalyst

The kinetics of methane steam reforming and pyrolysis on Ru/Al₂O₃(T= 650–750°C, = 0.001–0.030 MPa) is studied. The values of the rates and activation energies are compared with the kinetic parameters for nickel catalysts. It was shown that steam reforming can occur on the ruthenium catalyst both heterogeneously and heterogeneously–homogeneously depending on the reaction conditions. Comparative activities of the Ru/Al₂O₃and Ni–Al₂O₃catalysts are discussed under the conditions of purely heterogeneous and heterogeneous–homogeneous steam reforming.     

Stochastic models of homogeneity

The probabilityp()=P{–<) is used as a characteristic of homogeneity of the system (, ) of independent identically distributed random variables. We consider some estimation methods of this characteristic and a method of classification of observations minimizing the between-class dissimilarity measure.Translated from Statisticheskie Metody Otsenivaniya i Proverki Gipotez, pp. 120–123, 1986.