Abstract Data on the extraction of lithium salts and the distribution of extractant in the LiX–H2O- benzo-15-crown-5–CHCl3 systems, where X– is Br–, \({\text{ClO}}_{4}^{ - },\) and SCN–, have been first obtained in wide ranges of salt and extractant concentrations. The solubility of benzo-15-crown-5-ether in water in the temperature range 25–60°C and the isotherm of the distribution of crown ether

Abstract The ternary systems with a common cation, NaCl–NaI–Na2WO4 and KCl–KI–K2WO4, were studied by differential thermal analysis. The composition point of the congruently melting compound NaCl ⋅ Na2WO4 formed in the NaCl–Na2WO4 system divides the NaI–NaCl–Na2WO4 system into two triangles, in each of which there is a ternary eutectic. The characteristics of invariant points were determined, and phase

Abstract A protectant for hypothermic preservation of human sperm based on glass-forming water–salt systems of vital metals (magnesium, zinc, and calcium) was developed for the first time. The method of sperm preservation without preliminary washing of seminal plasma is proposed, which retains the sperm viability and sperm motility parameters comparable to the values of native sperm. The proposed protectant

Abstract Composites have been manufactured based on a mixture of calcium phosphates and an alginate-chitosan polyelectrolyte complex (PEC). The properties of these composites can be tuned by varying the filler/matrix ratio and drying temperature, so these materials may be regarded as potentially usable in orthopedics and traumatology. The composition and morphology of the manufactured samples and their

Abstract In spite of the wide application of nanodisperse tungsten oxide (from photo- and electrochromic devices to biomedical materials), its physicochemical properties were studied insufficiently. In this work, we have performed a comparative analysis of photochromic and photocatalytic properties of polyvinylpyrrolidone-stabilized tungsten oxide nanoparticles prepared by ion exchange and precipitation

Abstract The phase complex of the quinary reciprocal system Li+,Na+,K+||F–,Cl–,Br– was studied for the first time. Partition according to graph theory determined that the tree of phases of the system has linear structure and comprises stable polytopes: the pentatope LiF–NaF–KF–KBr–KCl, the hexatope LiF–NaBr–NaCl–KCl–KBr–NaF, and the heptatope NaCl–KCl–KBr–LiBr–LiCl–LiF–NaBr, connected by the stable

Abstract The solubilities of salts in the MgSO4–H2O and CdSO4–H2O systems are studied at 276–500°C using various methods (visual examination of phase transformations in water–salt mixtures in sealed quartz ampoules, collecting solution samples and performing chemical analysis, and measuring p–V–T dependences in an autoclave) to determine temperature dependence and classify the compounds as one the

Abstract Samples in the Li2O–B2O3–Yb2O3 system were synthesized and studied by differential thermal analysis, X-ray powder diffraction analysis, and thermodynamic analysis. Polythermal sections and an isothermal section of the phase diagram of this system were constructed. It was shown that the polythermal sections Li2O ⋅ 3B2O3–Yb2O3 ⋅ B2O3 and Li2O ⋅ B2O3–Yb2O3 ⋅ B2O3 are non-quasi-binary, and Li2O

Abstract A method for the synthesis of mono- and bimetallic zirconium and/or hafnium oxides by supercritical antisolvent precipitation has been developed. The oxides have been obtained using a laboratory dispersing system, alkoxides (zirconium propoxide, hafnium butoxide) and zirconium acetylacetonate have been used as precursors. A white powder of amorphous phase with composition MO2 · mH2O · nCxHyOz

Abstract— Nanoparticles of spinel ferrites with composition MFe2O4 (M = Zn, Ni) have been effectively synthesized by hydrothermal and sol-gel routes, in which Triton-X 100 is used as a surfactant. The structure of ferrite nanoparticles has been characterized by X-ray diffraction, which has showed single cubic spinel phases for all the samples. The surface morphology and elemental composition have been

Abstract Calculations of high-spin isomers of MO4V20\({\text{O}}_{{46}}^{{n-}}\) anions (S = 9) with MO4 tetraoxo anions located in the inner and outer spheres of the mixed-valence V20O46 cage have been performed by the density functional theory method. It has been shown that for all systems the endohedral isomers are considerably more favorable than the exohedral isomers. For the complexes with transition

Abstract The molecular structures of (6666) macrotetracyclic (M(IV) chelates (M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu) with the (NNNN)-donor ligand porphyrazine and the oxo ligand have been calculated by the DFT OPBE/TZVP method. Selected bond lengths and bond and nonbonded angles in the complexes have been reported. The standard enthalpies, entropies, and Gibbs energies of formation of these compounds have

Abstract Tris(4-fluorophenyl)antimony dicarboxylates (4-FC6H4)3Sb[OC(O)R]2, where R = CH2Cl (I), C6F5 (II), C6F4H-2 (III), CF2CF3 (IV), CF2CF2CF3 (V), and (3-FC6H4)3Sb[OC(O)C6F4H-2]2 (VI) have been synthesized by the reaction of tris(fluorophenyl)antimony with chloroacetic, pentafluorobenzoic, tetrafluorobenzoic, pentafluoropropionic, and heptafluorobutyric acids in the presence of tert-butyl hydroperoxide

Abstract Formation conditions were studied for compounds of hydrated vanadium oxide \({{\left( {{\text{N}}{{{\text{H}}}_{{\text{4}}}}} \right)}_{x}}{\text{V}}_{y}^{{{\text{4}} + }}{\text{V}}_{{{\text{2}} - y}}^{{{\text{5}} + }}{{{\text{O}}}_{{\text{5}}}} \cdot n{{{\text{H}}}_{{\text{2}}}}{\text{O}}\) (0.24 ≤ х ≤ 0.36, 0.24 ≤ y ≤ 0.36) prepared by hydrolytic deposition with vanadyl sulfate used as the

Abstract Gold and silver complexes with cyanide, thiocyanate, and thiosulfate ions have been considered. The potential energy surfaces of sorption complexes are shown. Quantum-chemical calculations of gold and silver complexes have been performed by the PM6 semi-empirical method as part of MOPAC. For eleven gold compounds, sets of potential energies have been obtained for various combinations. The

Abstract Germanates InFeGe2O7 and GdFeGe2O7 have been produced in the form of polycrystalline powders from stoichiometric mixtures of In2O3 (Gd2O3), Fe2O3, and GeO2 by solid-phase synthesis. Calcination was carried out in air in the temperature range 1273–1473 K. The high-temperature heat capacities of these oxide compounds have been measured using differential scanning calorimetry. The resulting experimental

Abstract The partial and integral thermodynamic functions of mixing and vaporization are calculated for Zn–Са alloys from the vapor pressures determined by the boiling point method. Alloy formation over the whole range of concentrations proceeds with heat release, with attendant considerable ordering in the system relative to an ideal solution up to ~70 at % Са in the alloy and with a minor increase

Abstract Effect of heteroatoms in manipulating irontricarbonyl assisted ring openings in heterosubstituted cyclobutenes (HCB) has been studied using DFT. Iron tricarbonyl facilitates the ring cleavage when X = O, S and Se but retards when X = NH, PH. Iron tripod promotes the Hin pathway to Hout in the oxa/thia/selena HCBs. The dominance of iron in bond cleavage is evident through the NLMO study. The

Abstract In spite of good sun protection characteristics, nanocrystalline TiO2 and ZnO widely used as inorganic UV filters can display a negative effect on skin. Nanocrystalline cerium dioxide was proposed as a promising component of sun protection cosmetics, however, no quantitative comparison of sun protection characteristics of CeO2 with other metal oxides was carried out until now. In this work

Abstract The hydrates Ln(Htba)3 ∙ 3H2O (Ln = Yb (I), Er (II), Ho (III); Н2tba = 2-thiobarbituric acid), Ln(Htba)3 ∙ 2H2O and Ln(Htba)3 ∙ 8H2O were crystallized from aqueous solutions. According to single-crystal X-ray diffraction analysis data, the structure of monoclinic crystals of isostructural complexes I–III was [Ln2(H2O)6(μ2-Htba-О,O')4(Htba-О)2]n. The formation of isostructural Ln(Htba) ∙ 2H2O

Abstract The complexes \({\text{[P}}{{{\text{h}}}_{{\text{3}}}}{\text{PR]}}_{{\text{2}}}^{{\text{ + }}}\)[HfCl6]2–, where R = Et (I), CH2C6H4CN-4 (II), or CH2C6H4F-4 (III), have been synthesized by the reaction between hafnium tetrachloride and tetraorganylphosphonium chlorides in acetonitrile and structurally characterized. According to X-ray diffraction data, the phosphorus atoms in tetraorganylphosphonium

Abstract The homologous series of MF2 (M = Ca2+, Sr2+, Ba2+, Cd2+, Pb2+, Sm2+, Eu2+, Yb2+, Ra2+, and Hg2+) crystals having the fluorite structure (CaF2, space group \(Fm\bar {3}m,\)Z = 4) holds an important place in fluoride materials science. A correlation between the enthalpy of anti-Frenkel defect formation (Hf) and the enthalpy of melting (Hm) was elucidated for CaF2, SrF2, BaF2, and PbF2 based

Abstract Films of microwave-absorbing ferrite-polymer composites comprising 5–50 vol % inclusions were synthesized. X-ray powder diffraction analysis showed that the obtained films are a two-phase composite and contain no other phases but the ferrite and the polymer. Differential scanning calorimetry suggested that the polymer matrix degrades at a temperature above 100°C. The IR spectra of the composites

Abstract YbxMnyOz:Eu3+ nanotube arrays have been synthesized in anodic aluminum oxide (AAO) templates with negative pressure filtration. The morphology, structure, and composition have been characterized by SEM, TEM, HRTEM, XRD and EDS, respectively. Compared with nanoparticles and nanowire arrays excited by 394 nm light wave, YbxMnyOz:Eu3+ nanotube arrays exhibit fluorescence enhancement and are accompanied

Abstract Nanocrystalline hafnium dioxide has been synthesized by hydrothermal treatment of X-ray amorphous hydrated hafnium dioxide in distilled water at 120–260°C for 1–7 days and in the presence of NaCl and NaOH as mineralizing agents. The size of HfO2 crystallites has been shown to be determined by the temperature of hydrothermal treatment and the type of mineralizing agent. The size of HfO2 crystallites

Abstract Calcium fluoride and strontium fluoride powders were prepared from respective alkaline-earth metal sulfates by a chemical reaction carried out in molten salt flux made up of lithium and sodium sulfates at 700°С. The fluorinating agent used was sodium fluoride. The irregular shapes of powder particles are likely to arise from the topotaxic phenomena occurring on the precursor calcium sulfate

Abstract It was shown that quasi-amorphous potassium polytitanate polyphosphate particles with a layered structure and high antifriction properties can be synthesized by treatment of a titanium dioxide powder in melts in the KOH–KH2PO4 system. At a certain ratio between the components in the reaction mixture, one can obtain the product with a minimum content of crystalline phases. The particles of

Abstract Complex compounds [M(solv)6][BnHn], where M = Zn(II), Cd(II); solv = DMF, DMSO; n = 10, 12, have been synthesized and studied by physicochemical methods (IR spectroscopy, electronic absorption spectroscopy, and X-ray diffraction). The structures of complexes [Cd(DMF)6][B10H10] and [Zn(DMSO)6][B10H10] have been determined by X-ray diffraction. Based on the obtained data, methods for the synthesis

Abstract In this study, synthesis of diindolyl oxindole derivatives has been developed by the coupling of indole compounds, isatin compounds, catalyzed with nanomagnetic Fe3O4@SiO2@Bi2O3. Reactions proceeded smoothly, and the corresponding heterocyclic products have been obtained in good to high yields. Magnetic Fe3O4@SiO2@Bi2O3 catalyst has been produced by the hydrothermal method. At first, the magnetic

Abstract Nanocrystalline powders of lead sulfide with particle size from 5 to 105 nm have been synthesized by chemical deposition from aqueous solutions of lead acetate or nitrate using sodium sulfide as sulfidizing agent and in the presence of sodium citrate or Trilon B as complexing agents. The exposure of the nanopowders to air for six years has shown that PbS nanopowders obtained in the presence

Abstract Methods for the preparation of N-substituted hydroxylamine [B12H11NH2OH]– have been developed and optimized. The possibility of using two synthetic methods has been shown: (i) based on the hydroxylation of the deprotonated amino-closo-dodecaborate and (ii) the ipso-substitution of the iodonium substituent with free hydroxylamine. A theoretical study of the [B12H11NH2OH]– anion has been carried

Abstract The molecular structures of heteroligand (6666)macrotetracyclic chelates of M(III) (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, or Cu) with porphyrazine (an (NNNN)-donating ligand) and F– ion are calculated by the DFT OPBE/TZVP method. The key bond lengths, bond angles, and nonbonded angles in these complexes are reported. The standard enthalpies, entropies, and Gibbs free energies of formation are

Abstract A gadolinium stearate powder has been synthesized and its microstructure has been studied by scanning electron microscopy. The powder composition and proposed structure have been determined using IR spectroscopy, X-ray powder diffraction, and elemental analysis. Molecular modeling of the spatial chain structure of gadolinium stearate for the nine-coordinate central Gd(III) ion has been performed

Abstract Silicon carbonitride (SiCxNy) films have useful properties and thereby wide potential for practical use. Methods for the preparation of bulk and film SiCxNy-based materials are intensively developing. Here, we consider the preparation of such films by chemical vapor deposition (CVD) using organosilicon compounds as precursors. Additional components of the input gases are NH3 and N2 as reagents

Abstract Undoped and Al-doped zinc oxide (AZO) layers, greatly transparent and with high mobility, have been prepared at low substrate temperature using a chemical reactive spray technique. The effect of aluminum incorporation in the zinc oxide (ZnO) lattice has been characterized by means of X-ray powder diffraction, Raman spectroscopy, electrical and optical measurements. AZO layers reveal a hexagonal

Abstract A new binuclear iron(III) oxo complex [(L)FeOFe(L)](PO2F2)4 (1) with PO2F2– counterions resulted from the oxidation of the hexafluorophosphate anion has been prepared by oxidation of an iron(II) complex with the tridentate ligand 2,6-bis(5-(4-fluorophenyl)-1H-pyrazol-3-yl)pyridine (L). According to X-ray diffraction studies, the iron(III) ions adopt the high-spin state, as in the previously

Abstract Double-doping technology for growing lithium niobate crystals (LiNbO3:Mg:Zn) was developed. The crystals were highly homogeneous and had high optical damage resistance, so they show promise for use as photonic and nonlinear optical components. The crystals were grown from the LiNbO3:0.145 wt % Mg:1.98 wt % Zn batch. The batch was prepared by homogeneous doping. The proposed flowsheet can serve

Abstract The effect of components of ceramics in the Sm2O3–Y2O3–HfO2 system on their thermophysical properties was studied. It was shown that the most stable materials at 1400°C are ternary ceramics in the system under investigation that contain ≤12.5 mol % Sm2O3; the thermal conductivity of these materials does not exceed 1.3 W/(m K). Increasing samarium oxide content in samples in the Sm2O3–Y2O3–HfO2

Abstract A two-stage method for the synthesis of a boron-containing complexone on the basis of aminomalonic acid was proposed. The products were studied by multinuclear NMR spectroscopy, IR absorption spectroscopy, and ESI mass spectrometry at all the stages of synthesis. The product (NBu4)[2-B10H9NHC(CH3)NHCH(COOEt)2] was structurally characterized by singe-crystal X-ray diffraction. The complexation

Abstract The study describes direct precipitation, original template, and additional thermal reduction methods for the synthesis of materials based on cobalt oxides and their composites, promising as magnetic sorbents for the selective extraction and preconcentration of uranium(VI) from aqueous media. The thermal decomposition of intermediates and the phase formation of final materials were studied

Abstract The thermodynamic characteristics of bismuth niobate doped with erbium Bi3Nb0.2Er0.8O6.2 have been determined. This compound is a representative of a promising class of ionic conductors. The solution enthalpies of bismuth oxide, erbium oxide, niobium chloride, and Bi3Nb0.2Er0.8O6.2 have been measured in 4 M HCl using solution calorimetry. Based on the experimental and reported data, we have

Abstract― The main directions of investigations and the results of measurements of thermodynamic properties of inorganic substances carried out by researchers at the Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences (IGIC RAS) using the precision calorimetris methods are presented.

Abstract The standard thermodynamic parameters of formation (ΔfH°(298 K), ΔfS°(298 K), and ΔfG°(298 K)) for p,d-metal clusters of Al2M3 (M = 3d) stoichiometry and the standard enthalpy, entropy, and Gibbs free energy of their formation reactions from monoatomic species in the gas phase were calculated by the hybrid density functional (DFT) method in OPBE/TZVP approximation and Gaussian09 software.

Abstract Copper tin sulfide Cu2SnS3 (mohite) is the endmember of the binary system Cu2SnS3–MeIIS, in which a number of four-component compounds (known as stannic minerals) are formed; it is also a representative of a large number of solid solutions, some occurring in nature and used in metallurgy and as promising materials for the production of solar cells. The standard enthalpy of mohite formation

Abstract Polycrystalline samples of gallium neodymium germanate NdGaGe2O7 were synthesized by solid-phase reactions from a stoichiometric mixture of oxides Nd2O3, Ga2O3, and GeO2 under sequential stepwise calcination in the air at temperatures in the range 1273–1473 K. The heat capacity–temperature dependence for the synthesized samples was studied by differential scanning calorimetry in the range

Abstract The standard formation enthalpy of the Bi12.5Er1.5CoO22.3 phase has been determined as following: ΔfH0(Bi12.5Er1.5CoO22.3, s, 298.15 K) = −5203.9 ± 14.5 kJ mol–1. Solution calorimetry, using 1 mol dm–3 HCl as a solvent, has been used to study the thermochemistry of Bi12.5Er1.5CoO22.3. The lattice energy for Bi12.5Er1.5CoO22.3 has been calculated on the basis of Born-Haber cycle using the standard

Abstract Two third generation liquid-crystalline dendrimers, poly(propyleneimine) derivatives with 3,4-bis(decyloxy)benzoic moieties at the periphery, were prepared, and their thermodynamic properties were studied. The formation of a columnar mesophase was verified by differential scanning calorimetry (DSC) and polarizing optical microscopy. It was for the first time that the specific heat capacity

Abstract The molar heat capacity of М-type terbium orthotantalate was measured by adiabatic calorimetry in the range 18–346 K. Smoothed heat capacity values were used to calculate the entropy, enthalpy gain, and reduced Gibbs free energy. The Schottky anomalous heat capacity in lanthanide compounds and its evaluation methods were analyzed.

Abstract Сerium(IV) oxide, copper(II) oxide and their composite (CeO2/CuO) were successfully synthesized via a simple method—solution combustion synthesis (SCS). The obtained samples were tested as a catalyst for the conversion of n-hexane, which could become the first step to further the synthesis of new simple catalysts constituted from oxide or composite in order to replace traditional ones and

Abstract The results of quantum-chemical calculations of the structure and energy of the hydrophobic ionic liquids derivatives of symmetric 1,3-dialkylbenzimidazole bromide salts using the hybrid functional B3LYP are reported. Natural bond orbital analysis has been used to evaluate the hydrogen bonds parameters. Heat capacity of the substances and their phase behavior were determined by DSC.

Abstract Anhydrous magnesium methanesulfonate (Mg(SO3CH3)2) and calcium methanesulfonate (Ca(SO3CH3)2) as well as hydrates Mg(SO3CH3)2 · 2H2O and Mg(SO3CH3)2 · 12H2O have been prepared and identified. Thermal degradation of the salts in air has been studied by thermogravimetric analysis. Parameters of phase transformations of Ca(SO3CH3)2 and Mg(SO3CH3)2 · 2H2O observed at –62.7 and –119°С, respectively

Abstract The heat capacity of cobalt trisdipivaloyl methanate Co(C11H19O2)3 was measured by the adiabatic method within the temperature range 8.18–301.61 K. The analysis of the functional dependence of the heat capacity did not revealed any thermal anomalies in its behavior. The thermodynamic functions (entropy, enthalpy, and reduced Gibbs energy) were calculated from the measured experimental data

Abstract The thermodynamic properties of ruthenium complex compound Ru(thd)3, (thd is tris(2,2,6,6-tetramethyl-3,5-heptadionate), Ru(C11H19O2)3 have been studied. Temperatures (434.8 ± 2.0, 452.2 ± 1.0, and 461.1 ± 1.0, and 487.8 ± 1 K) and thermodynamic parameters (enthalpy change ΔH = 13.3 ± 2.0, 2.1 ± 0.5, 6.0 ± 2.0, and 3.8 ± 1 kJ mol–1) of three reversible solid-phase transitions and the melting

Abstract The vaporization/decomposition of single-phase BaCeO3 samples was studied by the Knudsen Effusion Mass Spectrometry technique in the overall temperature range 1647–1923 K. The partial pressures of the gaseous species BaO(g), CeO2(g) and CeO(g) were monitored as a function of temperature. The formation of reduced form of cerium oxide as a product of the high temperature decomposition of BaCeO3

Abstract—Crystalline Pb0.5 +xMgxZr2 –x(PO4)3 (x = 0, 0.5) phosphates of NaZr2(PO4)3 (NZP) structural type were synthesized. The heat capacity of Pb0.5Zr2(PO4)3 was measured by adiabatic vacuum and differential scanning calorimetry (DSC) within the temperature range 8–660 K. The studied phosphates were found to experience a reversible phase transition in the region 256–426 K. According to the results

Abstract The partial and integral thermodynamic functions of mixing and evaporation for the melts of Pb–Ca system have been calculated from the vapor pressure data determined by boiling point method with involvement of published data. The formation of alloys containing <66.67 at % Ca is endothermic and accompanied by disorder growth, but it is exothermic at >66.67 at % Ca and leads to ordering in the

Abstract The thermodynamic properties of the Sm2O3–Y2O3–HfO2 system at 2500 K were modeled based on the generalized lattice theory of associated solutions using experimental data obtained by high-temperature mass spectrometry. A comparison was made between the results of the calculations of the thermodynamic properties of the Sm2O3–Y2O3–HfO2 system using two independent approaches to modeling based

Abstract The heat capacity of polycrystalline dysprosium orthoniobate was studied over a wide temperature range by three calorimetric methods: relaxation calorimetry (2–50 K), adiabatic calorimetry (9–350 K), and differential scanning calorimetry (308–1300 K). Below 9 K a descending low-temperature anomaly branch was detected, whose peak is beyond the measurement limits. At 1086 K a reversible phase

Abstract A set of Pitzer parameters was obtained to accurately describe the thermodynamic properties of solutions in the H2O–UO2(NO3)2–Th(NO3)4–HNO3 system at 25°С and represent the thermodynamic properties of liquid phases in the H2O–Th(NO3)4–HNO3 subsystem in the temperature range 25–50°С. Solubility products were calculated for crystal hydrates Th(NO3)4 · 6H2O and UO2(NO3)2 · 3H2O to predict the

Abstract Weighted sums of Einstein–Planck functions were used to describe thermodynamic functions of nine aluminosilicates with the zeolite-like stoichiometric composition: anorthite, armenite (hydrated and dehydrated forms), jadeite, carnegieite, cordierite (hydrated and dehydrated forms), osumilite, and petalite. The error of such description is comparable to the experimental error, and the number