Solubility in the NaCl-(C<Subscript>2</Subscript>H<Subscript>5</Subscript>)<Subscript>2</Subscript>NH-H<Subscript>2</Subscript>O System at 50°C

The solubility in the system NaCl-(C₂H₅)₂NH-H₂O at 50°C was studied. The shape of the solubility isotherm was analyzed.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 11, 2004, pp. 1912–1913.Original Russian Text Copyright © 2004 by Panasenko, Mazunin.     

Bleaching of kraft cellulose by the ClO<Subscript>2</Subscript>-H<Subscript>2</Subscript>O<Subscript>2</Subscript> scheme

The influence of conditions of a two-stage treatment of deciduous and coniferous kraft cellulose (by the ClO₂-H₂O₂ scheme) on the degree of its delignification and bleaching was studied. The optimum ratio of reagents in each stage of the treatment was elucidated.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 10, 2004, pp. 1735–1738.Original Russian Text Copyright © 2004 by Shcherbakova, Demin.     

Sorption of light fullerenes C<Subscript>60</Subscript> and C<Subscript>70</Subscript> on NORIT-AZO carbon

Sorption of fullerenes C₆₀ and C₇₀ from o-xylene, toluene, and dichlorobenzene solutions on NORIT-AZO carbons was studied.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 10, 2004, pp. 1638–1642.Original Russian Text Copyright © 2004 by Semenov, Seregin, Arapov, Charykov.     

Reactions in AB<Subscript>5</Subscript>-NH<Subscript>3</Subscript> systems

Treatment of intermetallic compounds LaNi₅ and SmCo₅ with ammonia (initial ammonia pressure 0.6– 0.7 MPa) in the presence of 10 wt% NH₄Cl as an activator results in hydrogenation of these compounds or, in the case of SmCo₅, in disproportionation to form Sm₂Co₇H_x. In some cases, the intermetallic matrix decomposes under this treatment.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 11, 2004, pp. 1765–1769.Original Russian Text Copyright © 2004 by Fokin, Shulga, Tarasov, Fokina, Korobov, Burlakova, Shilkin.This revised version was published online in April 2005 with a corrected cover date.     

Structure of Zn<Subscript>3</Subscript>P<Subscript>2</Subscript>

The structure of Z_n3P₂ (P 4₂/nmc, a = b = 8. 0785 Å, c = 11. 3966 Å) was solved and refined to R = 3. 2% in a precision X-ray diffraction experiment (λ-MoK _a, graphite monochromator on a primary beam, 27,496 reflections) . Interatomic distances and bond angles have been determined. The fcc lattice of the structure is built from phosphorus atoms, and the zinc atoms occupy 3/4 of all tetrahedral voids; the structure is described by two equivalent models where 1/4 occupied (by zinc atoms) and 1/4 vacant voids change places. The zinc atoms that occupy the voids following the diamond principle do not change places.Original Russian Text Copyright © 2004 by I. E. Zanin, K. B. Aleinikova, M. M. Afanasiev, and M. Yu. Antipin__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 889–892, September–October, 2004.     

Some properties of rhodium thioselenochloride RhCl<Subscript>4</Subscript>Se<Subscript>6</Subscript>S<Subscript>9</Subscript> and its thermal conversion products

The structure of rhodium thioselenochloride RhCl₄Se₆S₉ and the products of its thermal decomposition are studied by X-ray photoelectron and IR spectroscopies, X-ray powder diffraction, thermal, and elemental analyses. The thermal decomposition of RhCl₄Se₆S₉ was found to occur with a loss of weakly bonded chloro-, sulfur-, and selenium-containing fragments (at 100°C); at the higher temperatures, chlorine is lost and rhodium thioselenides are obtained (Rh₄Se₄S₅ at 490°C and Rh₄Se₃S₅ at 665°C). These changes are attended by the formation of the cluster nucleus [Rh₄(µ_3-Se)₃(µ₃-S)].Translated from Koordinatsionnaya Khimiya, Vol. 30, No. 12, 2004, pp. 910–914.Original Russian Text Copyright © 2004 by Pekhno, Stepanenko, Volkov, Fokina, Korduban.     

Oxidation of aromatic compounds: XII. Regio- and stereoselective oxidative dimerization of alkyl 3-arylpropynoates in the system CF<Subscript>3</Subscript>CO<Subscript>2</Subscript>H-CH<Subscript>2</Subscript>Cl<Subscript>2</Subscript>-PbO<Subscript>2</Subscript>

Regio- and stereoselective oxidative dimerization of alkyl 3-arylpropynoates in the system CF₃CO₂H-CH₂Cl₂-PbO₂ (1–30 h, 0–20°C) leads to dialkyl (E)-2,3-bis(arylcarbonyl)-2-butene-1,4-dioates with trans arrangement of the substituents at the double bond.Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 9, 2004, pp. 1329–1333.Original Russian Text Copyright © 2004 by Savechenkov, Vasilev, Rudenko.For communication XI, see [1].     

Forms of iron occurrence in a series of binary tellurides Fe<Subscript>x</Subscript>Ti<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Te<Subscript>1.45</Subscript>

Nonstoichiometric tellurides Fe_xTi_1–x Te_1.45 synthesized at 850°C were studied by X-ray phase and X-ray fluorescence analysis and by ⁵⁷Fe Mössbauer spectroscopy. The mutual iron-titanium substitution is limited in this series. The system contains four individual phases in which iron is in three different states: Fe²⁺ in an asymmetric environment, Fe²⁺ in a symmetric environment, and Fe⁰. The distribution of various iron states in the system depends not only on the Fe : Ti ratio, but also on the structure of phases.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 11, 2004, pp. 1761–1764.Original Russian Text Copyright © 2004 by Pankratova, Zabolotnaya, Panchuk, Semenov, Zvinchuk, Suvorov.This revised version was published online in April 2005 with a corrected cover date.     

Computer simulation of molecular complexes H<Subscript>3</Subscript>O<Superscript>+</Superscript>(H<Subscript>2</Subscript>O)<Subscript>n</Subscript> under conditions of thermal fluctuations: I. Interactions in the system

The simplest pair model of intermolecular interactions fails to reproduce known experimental free energy and entropy of hydration of H₃O⁺ ions in water vapor. A fit to experiment is attained only when covalent bonds and nonpair interactions, which are of particular importance at contact distances from the ion, are taken into account. An interaction model was constructed, which allows the experimental free energies of cluster formation to be reproduced to fractions of k _B T by the Monte-Carlo method. Numerical values of interaction parameters were obtained by fitting simulated results to refined experimental data.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 9, 2004, pp. 1409–1417.Original Russian Text Copyright © 2004 by Shevkunov.This revised version was published online in April 2005 with a corrected cover date.     

Quantum-chemical study of organoxenon molecules Xe(CF<Subscript>3</Subscript>)<Subscript>2</Subscript> and FXeCF<Subscript>3</Subscript>

Charges on the atoms and structural parameters of the Xe(CF₃)₂, FXeCF₃, and XeF₂ molecules were calculated by the MP2(full)/MIDI(d₆)&6-311G(d ₆) quantum-chemical methods. The calculated energy of Xe(CF₃)₂ is greater by 113 kcal/mol than the overall energy of C₂F₆ and Xe, and the energy of FXeCF₃ is greater by 108 kcal/mol than the overall energy of CF₄ and Xe, the barrier to the decomposition being estimated at 40 kcal/mol. Both Xe(CF₃)₂ and FXeCF₃ molecules are stable with respect to spontaneous decomposition with elimination of difluorocarbene.__________Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 12, 2004, pp. 1808–1810.Original Russian Text Copyright © 2004 by Semenov, Sigolaev.     

Synthesis of nonequilibrium Ir<Subscript>x</Subscript>Re<Subscript>1-x</Subscript> solid solutions. Crystal structure of [Ir(NH<Subscript>3</Subscript>)<Subscript>5</Subscript>Cl]<Subscript>2</Subscript>[ReCl<Subscript>6</Subscript>]Cl<Subscript>2</Subscript>

Synthesis of five binary complex salts with an [Ir(NH₃)₅Cl]²⁺ complex cation is described. The counterions are [ReCl₆]^2–, [IrCl₆]^2–, [ReBr₆]^2–, and Cl^–. A polycrystal X-ray diffraction study has been performed for [Ir(NH₃)₅Cl]₂[ReCl₆]Cl₂, and its crystal structure has been determined. A series of Ir _x Re_1–x phases (0.5 x > 1) were obtained by reductive thermolysis. For the Ir-Re system, the history of the V/Z(x) dependence has been refined.Original Russian Text Copyright © 2004 by S. A. Gromilov, S. V. Korenev, I. V. Korolkov, K. V. Yusenko, and I. A. BaidinaTranslated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 3, pp. 508–515, May–June 2004.     

Electrodeposition of CuSe<Subscript>x</Subscript> compounds onto carbon-containing electrodes

The electrodeposition of copper(II) and selenium(IV) onto pyrographite and carbon-pyroceramic electrodes in sulfate solutions was studied. The optimal conditions for obtaining a compound of composition Cu₂Se were found.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 8, 2004, pp. 1289–1294.Original Russian Text Copyright © 2004 by Dergacheva, Chaikin, Grigoreva, Pantileeva.     

Crystal structure of Ba(VUO<Subscript>6</Subscript>)<Subscript>2</Subscript>

The crystal structure of Ba(VUO₆)₂ was determined by X-ray diffraction at 243 K: monoclinic crystal system, space group P2₁/c, unit cell parameters a=6.4992(6) Å, b=8.3803(8) Å, c=10.4235(9) Å, =104.749(2) °, Z=2. The structure contains close-packed [VUO₆] ₂ ^- layers formed by the dimers of the flattened U₂O₁₂ pentagonal bipyramids and by the dimers of V₂O₈ square pyramids. The neighboring layers are bound by the statistically distributed barium atoms.Original Russian Text Copyright © 2004 by E. V. Alekseev, E. V. Suleimanov, E. V. Chuprunov, and G. K. FukinTranslated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 3, pp. 544–548, May–June 2004.     

Interatomic interactions and electronic structure of NbSe<Subscript>2</Subscript> and Nb<Subscript>1.25</Subscript>Se<Subscript>2</Subscript> nanotubes

Atomic models of achiral NbSe₂ nanotubes are suggested. Band structure calculations have been performed to investigate the electronic structure and determine the parameters of interatomic interactions. The distribution of the density of states and pair bond occupancies of NbSe₂ nanotubes are analyzed in relation to the type of the atomic configuration and the tube diameter; the results are compared with the band structure of the 2H-NbSe₂ crystal. Calculations have been carried out on hypothetical superstoichiometric nanotubes with a formal composition Nb_1.25Se₂ as possible quasi-one-dimensional nanoforms of autointercalated niobium diselenide.Original Russian Text Copyright © 2004 by A. N. Enyashin, V. V. Ivanovskaya, I. R. Shein, Yu. N. Makurin, N. I. Medvedeva, A. A. Sofronov, and A. L. IvanovskiiTranslated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 4, pp. 579–588, July–August, 2004.This revised version was published online in April 2005 with a corrected cover date.     

On the initiation of combustion of O<Subscript>2</Subscript>-O<Subscript>3</Subscript> mixtures in the course of laser-induced asymmetrical ozone vibrations

The kinetics of ignition of O₂-O₃ mixtures upon the excitation of O₃ molecules by laser radiation with a wavelength #x03BB;_I of 9.695 µm is considered. The stimulation of asymmetrical vibrations of O₃ molecules was shown to produce more efficient dissociation of O₃ molecules, faster heating of the mixture, and, as a consequence, a decrease in the induction time and ignition temperature. Even when the energy of radiation applied to the gas is low (E _in 0.15 J/cm²), the ignition temperature of pure ozone can be reduced from 520 to 300 K at a pressure of 10³ Pa.Translated from Kinetika i Kataliz, Vol. 45, No. 6, 2004, pp. 897–903.Original Russian Text Copyright © 2004 by Lukhovitskii, Starik, Titova.     

New uranyl complex with imidazolidine-2-one [UO<Subscript>2</Subscript>(Imon)<Subscript>4</Subscript>(H<Subscript>2</Subscript>O)](ClO<Subscript>4</Subscript>)<Subscript>2</Subscript>: Structure and some properties

A complex of uranyl perchlorate with imidazolidine-2-one as the molecular ligand, [UO₂(Imon)₄(H₂O)](ClO₄)₂ (I), was synthesized and structurally characterized by X-ray diffraction analysis. The coordination number of the uranium atom is 7. The nearest environment of the uranyl ion includes four O atoms of the imidazolidine-2-one molecules and one O atom of the water molecule. The perchlorate anions are outer-sphere ligands. The crystals are monoclinic: space group P2₁/c; a = 16.294(3) Å, b = 16.135(3) Å, c = 9.987(2) Å, = 97.69 (3)°, V = 2603.0 (9) ų, (calcd) = 2.117 g/cm³, Z = 4. The IR and luminescence spectra of the complex were recorded.Translated from Koordinatsionnaya Khimiya, Vol. 30, No. 12, 2004, pp. 919–924.Original Russian Text Copyright © 2004 by Andreev, Antipin, Budantseva, Tuchina, Serezhkina, Fedoseev, Yusov.     

Structral Effects on the Mutual Solubility of Solution Components and Formation of Zinc and Cadmium Chloride Complexes in Zn(Cd)(NO<Subscript>3</Subscript>)<Subscript>2</Subscript>-LiCl-H<Subscript>2</Subscript>O Systems

Solubility isotherms have been determined for Zn(Cd)(NO₃)₂-LiCl-H₂O systems at 25°C, and Raman spectra in the range of M-Cl and nitrate ion vibrations have been measured. A single bond system is realized over the whole range of concentrations in the Zn(NO₃)₂-LiCl-H₂O system because the cybotactic groups are structurally compatible. In the Cd(NO₃)₂-LiCl-H₂O system, the cybotactic groups are incompatible, which leads to structural microheterogeneities in post-eutectic concentrations.Original Russian Text Copyright © 2004 by M. K. Khripun, A. A. Kiselev, A. Yu. Efimov, L. A. Mund, and V. P. Petranovskii__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 1027–1033, November–December, 2004.     

Magneto-optic and luminescent properties of tellurite glass TeO<Subscript>2</Subscript>-ZnCl<Subscript>2</Subscript> doped with rare-earth elements

Tellurite glasses were synthesized on the basis of the binary system composed of 70 mol % TeO₂ and 30 mol % ZnCl₂ and doped with Nd³⁺, Pr³⁺, Tb³⁺, Er³⁺, Yb³⁺, Ho³⁺. The physicochemical, luminescent, and magneto-optic properties of these glasses were studied.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 8, 2004, pp. 1262–1265.Original Russian Text Copyright © 2004 by Grishin, Gurev, Intyushin, Elliev, Pavlova, Savikin.     

Quantum-Chemical Study of the Profiles of Reactions that Form Pyrrole Anion N-Adducts with CS<Subscript>2</Subscript> and CO<Subscript>2</Subscript>

The profiles of reactions leading to pyrrole anion N-adducts with CO₂ and CS₂ have been studied by the ab initio (RHF/6-31+G*, MP2/6-31+G*) and density functional (B3LYP/6-31+G*) methods. Addition of the pyrrole anion to the carbon disulfide molecule is accompanied by the appearance of a minimum corresponding to a pre-reaction complex. The transformation of the complex to the N-pyrrolyldithiocarboxylate anion occurs via a low activation barrier, which is due to repolarization of the C=S bonds. The profile of the reaction leading to the pyrrole anion N-adduct with CO₂ does not contain any intermediate stationary points throughout the whole route from reagents to products.Original Russian Text Copyright © 2004 by V. B. Kobychev, N. M. Vitkovskaya, I. L. Zaitseva, and B. A. Trofimov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 990–993, November–December, 2004.     

Electrochemical Methods for Studying Transport Properties and the Type of Ionic Conduction in Solid Electrolytes Based on CaPr<Subscript>2</Subscript>S<Subscript>4</Subscript> and Ca(Ba)Sm<Subscript>2</Subscript>S<Subscript>4</Subscript>

The theoretical feasibility of sulfide ion transport in phases based on MeLn₂S₄ (Me = Ca, Ba; Ln = Sm, Pr) is considered. Regions of solid solutions on the basis of ternary compounds are determined. A systematic investigation of phases is performed with the application of a variety of electrochemical methods, specifically, the conductimetry, emf in chemical concentration cells with and without transport, and Tubandt methods.__________Translated from Elektrokhimiya, Vol. 41, No. 6, 2005, pp. 707–713.Original Russian Text Copyright © 2005 by Ushakova, Kalinina, Fominykh, Yurlov, Murin.Published on the basis of a report delivered at the VII Meeting on Fundamental Problems in Solid-State Ionics (Chernogolovka-2004).