ALBERT

Beschreibung:    In this work, Monte Carlo simulation was used to model the dynamic hysteresis behavior of magnetic/non-magnetic multilayers in the framework of Heisenberg model using the spin-flip algorithm. The purpose is to investigate the hysteresis properties while varying the direction of external applied magnetic field and temperature taking account interface composition of magnetic/non-magnetic atoms. From the results, with thermal variation and interface composition, the simulated hysteresis loops change significantly due to the competition between magnetic anisotropy in magnetic films and the presence of isolated clusters at the interface. Content Type Journal Article Category Original Paper Pages 1-4 DOI 10.1007/s10948-012-1492-6 Authors A. Razouk, Laboratoire de Physique et Mécanique des Matériaux, Faculté des Sciences et Techniques, Université Sultan Moulay Slimane, B.P. 523, 23000 Béni Mellal, Morocco M. Sahlaoui, Laboratoire de Physique et Mécanique des Matériaux, Faculté des Sciences et Techniques, Université Sultan Moulay Slimane, B.P. 523, 23000 Béni Mellal, Morocco M. Sajieddine, Laboratoire de Physique et Mécanique des Matériaux, Faculté des Sciences et Techniques, Université Sultan Moulay Slimane, B.P. 523, 23000 Béni Mellal, Morocco Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The e-ph coupling may be of the different strength for different electronic bands. If coupling is strong enough for one or more bands, polaronic effects practically decouple these bands from the rest. Single ions being dressed by strong e-ph interactions move in the local potentials having two or more minima, and hence, can be viewed as the system of the Ising spins. Intersite interactions via the RKKY-type exchange by the electron-hole pairs tend to order the latter thus providing the CDW instability mechanism with a structural vector, Q that has nothing in common with the Fermi surfaces parameters. Among the most typical manifestations of such strong e-ph coupling in the system are large characteristic energy scales significantly exceeding the temperatures for the onset of the CDW phase. The available experimental data support interpretation of properties of the transition-atoms-dichalcogenides and the compounds of the A15 group in terms of the local polaronic effects. Content Type Journal Article Category Complex Systems Pages 1-7 DOI 10.1007/s10948-012-1448-x Authors Lev P. Gor’kov, National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL 32310, USA Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    This survey provides a brief account for the start of organic superconductivity motivated by the quest for high T c superconductors and its development since the 1980s. Besides superconductivity found in 1D organics in 1980, progresses in this field of research have contributed to better understand the physics of low-dimensional conductors highlighted by the wealth of new remarkable properties. Correlations conspire to govern the low-temperature properties of the metallic phase. The contribution of antiferromagnetic fluctuations to the interchain Cooper pairing proposed by the theory is borne out by experimental investigations and supports superconductivity emerging from a non-Fermi-liquid background. Quasi-one-dimensional organic superconductors can therefore be considered as simple prototype systems for the more complex high T c materials. Content Type Journal Article Category Superconductivity Pages 1-23 DOI 10.1007/s10948-012-1475-7 Authors Denis Jérome, Laboratoire de Physique des Solides, Université Paris-Sud, 91405 Orsay, France Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The possible relationship between Kondo lattices an superconductivity is discussed for the case of granular superconductors, based on the empirical evidence that they display strong correlation effects near a metal to insulator transition. Content Type Journal Article Category Complex Systems Pages 1-4 DOI 10.1007/s10948-012-1453-0 Authors Guy Deutscher, School of Physics and Astronomy, Tel Aviv University, Ramat Aviv, Tel Aviv, 69978 Israel Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung: Jacques Friedel and Metallurgy Content Type Journal Article Category Metallurgy, Dislocations, Strains Pages 1-2 DOI 10.1007/s10948-012-1471-y Authors Georges Saada, Laboratoire D’Etude des Microstructures, Onera, 92322 Chatillon, France Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Mn 3 O 4 nanoparticles were synthesized via an ionic liquid (IL) assisted process at room temperature, which is rather difficult to achieve by other techniques. The synthesized product was characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infrared (FT-IR) spectroscopy, thermal gravimetry (TG), and vibrating sample magnetometry (VSM). The prepared material showed a high purity, while crystallite size and particle size agree well with each other, 17±2 and 19±3 nm, respectively, revealing nearly single crystalline character of nanoparticles. The product contains 4 wt% of adsorbed water and ionic liquid. This method provides a facile, one-step, and low-cost route for the synthesis of nanostructures of metal oxides. In addition, [BMIM]BF 4 could be collected and reused for subsequent reactions. Content Type Journal Article Category Original Paper Pages 1-5 DOI 10.1007/s10948-012-1451-2 Authors Merva Günay, Department of Chemistry, Fatih University, B. Cekmece, 34500 Istanbul, Turkey Abdülhadi Baykal, Department of Chemistry, Fatih University, B. Cekmece, 34500 Istanbul, Turkey Muhammet S. Toprak, Functional Materials Division, Royal Institute of Technology, 16440 Stockholm, Sweden Hüseyin Sözeri, TUBITAK-UME, National Metrology Institute, PO Box 54, 41470 Gebze-Kocaeli, Turkey Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Screening of the Coulomb interaction accounting for the Friedel oscillations in the structures with multicomponent low-dimensional electron plasma is considered. Calculations are made for nanotubes, double quantum wells (DQW) and superlattices. We consider also screening of an impurity potential by neutral particles—indirect dipolar excitons, as well as Friedel oscillations in a hybrid electron–exciton system. Content Type Journal Article Category Nanostructures; Low dimensional systems Pages 1-11 DOI 10.1007/s10948-012-1437-0 Authors A. V. Chaplik, Institute of Semiconductor Physics, 630090 Novosibirsk, Russia V. M. Kovalev, Institute of Semiconductor Physics, 630090 Novosibirsk, Russia L. I. Magarill, Institute of Semiconductor Physics, 630090 Novosibirsk, Russia R. Z. Vitlina, Institute of Semiconductor Physics, 630090 Novosibirsk, Russia Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    In this paper, a series of iron (Fe) containing nanoparticles were prepared by employing PAMAM (Poly(amidoamine), dendrimers with different generations (G0–G3) as templates and sodium borohydride as a reducing agent. The products have been characterized by TEM, FT-IR, XRD, VSM, TGA, and XPS. XRD analysis reveal low crystallinity of formed particles within the dendrimers, however, crystallinity of the nanoparticles was observed to increase with increasing generation of dendrimers. Dominant phases were determined as magnetite (Fe 3 O 4 or maghemite, γ -Fe 2 O 3 ). XPS analysis revealed the chemical composition of nanoparticles as iron oxide which indicated the oxidation of Fe species subsequent to the reduction process, in agreement with XRD analysis. The magnetization curves have superparamagnetic nonhysteretic characteristic at lower fields and with nonsaturation characteristic at high fields. Magnetic evaluation of samples with the 20:1 molar ratio of Fe:PAMAM showed decreasing superparamagnetic character and decreasing saturation magnetisation with increasing generation of dendrimers. Content Type Journal Article Category Original Paper Pages 1-9 DOI 10.1007/s10948-012-1454-z Authors A. Baykal, Department of Chemistry, Fatih University, B. Cekmece, 34500 Istanbul, Turkey M. S. Toprak, Functional Materials Division, Royal Institute of Technology—KTH, 16440 Stockholm, Sweden Z. Durmus, Department of Chemistry, Fatih University, B. Cekmece, 34500 Istanbul, Turkey M. Senel, Department of Chemistry, Fatih University, B. Cekmece, 34500 Istanbul, Turkey H. Sozeri, TUBITAK-UME, National Metrology Institute, PO Box 54, Gebze, 41700 Kocaeli, Turkey A. Demir, Department of Chemistry, Fatih University, B. Cekmece, 34500 Istanbul, Turkey Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    In this study, superconducting samples of type Cu 0.5 Tl 0.5 Ba 2 Ca 2 Cu 3 O 10− δ added by SnO 2 and In 2 O 3 in nano-scale were prepared by a solid-state reaction technique. The concentrations of both SnO 2 and In 2 O 3 were 0.0, 0.1, 0.2, 0.4, 0.6 and 1.0 wt% of the sample’s total mass. The prepared samples were characterized using X-ray powder diffraction (XRD) and scanning electron microscopy (SEM) for phase analysis and microstructure examination. The elemental content of the prepared samples was determined using energy dispersive X-ray (EDX) and particle induced X-ray emission (PIXE). The results of elemental content, determined from EDX and PIXE, were compared and discussed. In addition, The oxygen content of these samples was obtained using non Rutherford backscattering spectroscopy (RBS) at 3 MeV proton beam. It was found that the Oxygen-content of (Cu 0.5 Tl 0.5 )-1223 phase was not affected by both SnO 2 and In 2 O 3 nano-oxides addition. The electrical resistivity of the prepared samples was measured by the conventional four-probe technique from room temperature down to the zero superconducting transition temperature ( T 0 ). An increase in the superconducting transition temperature T c from 106 to 119 K was observed as x was varied from 0.0 to 0.6 wt% for (SnO 2 ) x Cu 0.5 Tl 0.5 Ba 2 Ca 2 Cu 3 O 10− δ , followed by a systematic decrease with increasing nano-SnO 2 addition. On the other hand, the T c values for (In 2 O 3 ) x Cu 0.5 Tl 0.5 Ba 2 Ca 2 Cu 3 O 10− δ show a small variation with  x . Moreover, the variation rate of T c with x , for both nano-additions, was found to be directly proportional to the variation of the volume fraction of the prepared samples. Content Type Journal Article Category Original Paper Pages 1-14 DOI 10.1007/s10948-012-1465-9 Authors N. H. Mohammed, Physics Department, Faculty of Science, Alexandria University, Moharam Bek, P.O. Box, 21511 Alexandria, Egypt R. Awad, Physics Department, Faculty of Science, Alexandria University, Moharam Bek, P.O. Box, 21511 Alexandria, Egypt A. I. Abou-Aly, Physics Department, Faculty of Science, Alexandria University, Moharam Bek, P.O. Box, 21511 Alexandria, Egypt I. H. Ibrahim, Physics Department, Faculty of Science, Alexandria University, Moharam Bek, P.O. Box, 21511 Alexandria, Egypt M. Roumié, Accelerator Laboratory, Lebanese Atomic Energy Commission, National Council for Scientific Research, Airport Road, P.O. Box 11, 8281 Beirut, Lebanon M. Rekaby, Physics Department, Faculty of Science, Alexandria University, Moharam Bek, P.O. Box, 21511 Alexandria, Egypt Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Electronic structures of ZnO-based dilute magnetic semiconductors (DMS) are investigated within the self-interaction-corrected local density approximation (SIC-LDA). These results are compared with those calculated within the standard LDA. The Korringa–Kohn–Rostoker method combined with coherent potential approximation has been used. We find the differences between LDA and SIC-LDA calculations, in the band-gap energy. The energetic position of the Zn 3d bands and the description of the transition-metal d bands, have been studied. In contrast to the standard LDA calculations, the results obtained within SIC-LDA are in good agreement with the experimental ones. Content Type Journal Article Category Original Paper Pages 1-8 DOI 10.1007/s10948-012-1470-z Authors E. Salmani, LMPHE (URAC 12), Departement de Physique, Faculté des Sciences, Université Mohammed V-Agdal, Rabat, Morocco A. Benyoussef, LMPHE (URAC 12), Departement de Physique, Faculté des Sciences, Université Mohammed V-Agdal, Rabat, Morocco H. Ez-Zahraouy, LMPHE (URAC 12), Departement de Physique, Faculté des Sciences, Université Mohammed V-Agdal, Rabat, Morocco E. H. Saidi, LPHE, Departement de Physique, Faculté des Sciences, Université Mohammed V-Agdal, Rabat, Morocco Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Optical and photocatalytic properties of ZnS, ZnS:Mn 2+ (20 and 30 wt%) and ZnS:Sm 3+ (20 and 30 wt%) samples formed by three coatings, were studied. The layers were deposited on glass substrate by the sol-gel dip coating process. The catalytic activity of the samples was determined by means of the photodecomposition of methylene blue under Ultra Violet and visible light irradiations. The Fourier Transform Infrared (FTIR) spectrum of ZnS shows the presence of OH, N–H, N–C and S–H groups. The last two groups suggest the formation of a thiocyanuric group (NCS − ) on the surface of the sample which enables the photocatalytic activity of undoped ZnS and doped ZnS under visible light irradiation. Content Type Journal Article Category Original Paper Pages 1-4 DOI 10.1007/s10948-012-1432-5 Authors E. Gómez-Barojas, CIDS-IC, Benemérita Universidad Autónoma de Puebla, Puebla, Pue 72570, Mexico E. Sánchez-Mora, Instituto de Física, BUAP. Apdo, Postal J-48, Puebla, Pue 72570, Mexico C. Castillo-Abriz, Instituto de Física, BUAP. Apdo, Postal J-48, Puebla, Pue 72570, Mexico E. Flores-Rodríguez, Instituto de Física, BUAP. Apdo, Postal J-48, Puebla, Pue 72570, Mexico R. Silva-González, Instituto de Física, BUAP. Apdo, Postal J-48, Puebla, Pue 72570, Mexico Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    An off-equilibrium redox condition study of Mn 2+ and Mn 4+ ions added to the batch is reported for the case of the preparation of the barium aluminoborate glasses, by considering that the out of equilibrium reactions started already on the melt. It is shown that for lower dopant concentrations the relative concentrations of the oxidation states of the manganese are found out of equilibrium up to the added amount of 0.3 mol% of MnO 2 , but on doping with MnO, the equilibrium state is achieved at the MnO added amount of 0.07 mol%. The change of the redox condition of the manganese ions toward the equilibrium was studied by tracking the Mn 2+ amount as a function of the doping concentration in the two cases of MnO and MnO 2 . Content Type Journal Article Category Original Paper Pages 1-4 DOI 10.1007/s10948-012-1457-9 Authors J. M. Giehl, Institute of Physics Gleb Wataghin, University of Campinas, Campinas, SP, Brazil A. R. Miranda, Institute of Physics Gleb Wataghin, University of Campinas, Campinas, SP, Brazil W. M. Pontuschka, Institute of Physics, University of São Paulo, São Paulo, SP, Brazil M. Navarro, Institute of Physics, University of São Paulo, São Paulo, SP, Brazil Z. M. Da Costa, Institute of Exact Science, Federal University of Juiz de Fora, Juiz de Fora, MG, Brazil Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    In this work, we report synthesis and characterization of the new La 2 SrCo 2 FeO 9 triple perovskite material. The samples were produced by the solid-state reaction method. The analyses of the XRD patterns were made by Rietveld refinement through the GSAS code. The results reveal that the material crystallizes in an orthorhombic complex perovskite, space group Immm (#71) with lattice parameters a =5.4314(3) Ǻ, b =5.4583(3) Ǻ and c =7.7018(2) Ǻ. SEM micrographs evidence a strongly diffused granular morphology with mean grain size of 2 μm and the EDX spectra show that the chemical composition of samples are in good agreement with the nominal values of the stoichiometric formula. 57 Fe Mössbauer spectroscopy recorded at 300 K reveals two sites in concordance with the X-ray diffraction measurements, and its valence state is +3, as determined from the isomer shift found. At 4.2 K magnetic ordering with canting of the Fe moments is found. Measurements of the magnetization as a function of temperature permitted us to determine the ferromagnetic characteristic of material with an effective magnetic moment of 9.7 μ B . Content Type Journal Article Category Original Paper Pages 1-5 DOI 10.1007/s10948-012-1425-4 Authors Julio C. Albornoz, Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC, Colombia David A. Landínez Téllez, Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC, Colombia Jairo Roa-Rojas, Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC, Colombia Julian A. Munévar, Centro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud 150, 22290-180 Rio de Janeiro, RJ, Brasil Elisa Baggio-Saitovich, Centro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud 150, 22290-180 Rio de Janeiro, RJ, Brasil Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    In the present paper, the effect of non-polar longitudinal optical phonons on domain wall resistance has been studied using the semiclassical approach. The analysis has been based on the Boltzmann transport equation, within the relaxation time approximation. We have determined the magnetoresistance of domain wall in nanowires based on diluted magnetic semiconductors. The modulation of the exchange and the impurity interactions by lattice vibrations, and the hole–phonon interaction are considered. The results indicate that the scattering role of phonons becomes significant by increasing temperature, which leads to the resistivity enhancement. It is also found that the magnetic impurities play an impressive role in enhancing the contribution of the domain wall in the resistance. In providing room temperature spintronics devices, understanding the effects of phonons and magnetic impurities on the domain wall resistance is crucial. Content Type Journal Article Category Original Paper Pages 1-5 DOI 10.1007/s10948-012-1487-3 Authors R. Majidi, Department of Physics, Shahid Rajaee Teacher Training University, 16788-15811 Tehran, Iran M. M. Tehranchi, Department of Physics, Shahid Beheshti University, G.C., Evin, 19839-63113 Tehran, Iran A. Phirouznia, Department of Physics, Azarbaijan University of Tarbiat Moallem, 53714-161 Tabriz, Iran Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Thick films of ((Bi,Pb) 2 Sr 2 Ca 2 Cu 3 O x ) 1− y (La 0.7 Sr 0.3 MnO 3 ) y [(Bi2223) 1− y (LSMO) y ] composites ( y =0.01, 0.03, 0.05) are deposited by means of a simple melting-quenching-annealing method onto (001)-oriented LaAlO 3 (LAO) substrates. The constituent compounds Bi2223 and LSMO are prepared by standard solid-state reaction and sol–gel method, respectively. Measurements of the dependence of the magnetization on the temperature show the presence of superconducting and ferromagnetic phase below ∼54 K and ∼370 K, respectively. Current–voltage measurements on composites with y =0.01, 0.03 show that the superconducting critical current drop dramatically from I c ≈350 mA at T =15 K to zero at T ≈0.5 T c (∼25 K). The dependence of the magnetization on the external magnetic field applied in-plane or out-of-plane at 5 K displays well defined hysteresis loops, which correspond to the superconducting, diamagnetic phase. For T 〉 T c , the ferromagnetic loop of LSMO is observed. The critical current density, J c , was determined for samples with y =0.01 and 0.05 by applying Kim’s model to the superconducting, diamagnetic hysteresis recorded at 5 K. The calculated values for J c ( B ) resulted to be smaller than those obtained for individual bulk Bi2223 samples due, probably, to the presence of LSMO particles whose ferromagnetic domains compete with the superconducting diamagnetic phase. Content Type Journal Article Category Original Paper Pages 1-5 DOI 10.1007/s10948-012-1455-y Authors O. Paredes, Centro de Materiales, Facultad de Ingeniería, Universidad de Nariño, Ciudad Universitaria Torobajo, Pasto, Colombia E. Baca, Grupo de Ingeniería de Nuevos Materiales, Departamento de Física, Universidad del Valle, A.A. 25360 Cali, Colombia O. Morán, Laboratorio de Materiales Cerámicos y Vítreos, Departamento de Física, Universidad Nacional de Colombia, Sede Medellín, A.A. 568, Medellín, Colombia Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The interaction between a cylindrical magnet and a superconducting hollow cylinder in the Meissner state was analyzed using a dipole–dipole model. Analytical expression of the levitation force was derived as a function of the magnetic moment, radius of the magnet, radius, and thickness of the superconductor sample. The effect of the magnet’s dimensions on the levitation force was studied. The obtained results show that there is strong dependence of the levitation force on the magnetic dipole orientation at a small magnet–superconductor distance. Content Type Journal Article Category Original Paper Pages 1-5 DOI 10.1007/s10948-012-1483-7 Authors M. K. Alqadi, Department of Physics, Jordan University of Science and Technology, Irbid, Jordan F. Y. Alzoubi, Department of Physics, Jordan University of Science and Technology, Irbid, Jordan S. M. Saadeh, Department of Physics, Jordan University of Science and Technology, Irbid, Jordan H. M. Al-Khateeb, Department of Physics, Jordan University of Science and Technology, Irbid, Jordan N. Y. Ayoub, Dean of Graduate Studies, German Jordanian University, Amman, Jordan Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The first-principles full potential linearized augmented plane wave method within spin-polarized density functional theory was used to investigate the structural, electronic, and magnetic properties of NaX compounds in the NiAs, rocksalt (RS), and zincblende (ZB) phases. The results showed that in all compounds, the stable state phase is a nonmagnetic (NM) NiAs structure except for NaO in which the stable state phase is a ferromagnetic (FM) RS structure. The ZB NaX (X=O, S, Se, Te, and Po) and RS NaX (X=O, S, and Se) structures are half-metallic (HM) ferromagnets with an integer magnetic moment of 1 μ B per formula unit. The half-metallicity originates from hybridization between X p and Na s and p states. The ZB NaO compound is a very robust half-metal which has the HM band gap of 1.25 eV and maintains HM characteristic up to above 40% of the lattice constant contraction. The half-metallicity is also found up to the lattice constant contraction of about 26.3%, 19.6%, 10.4%, and 7.5% for ZB NaS, NaSe, NaTe, and NaPo and 27.1%, 6.4%, and 1.7% for RS NaO, NaS, and NaSe, respectively. The robustness of half-metallicity with respect to the lattice contraction in the HM NaX compounds and their compatibility with the binary semiconductors make them suitable candidates in spintronic applications. Content Type Journal Article Category Original Paper Pages 1-8 DOI 10.1007/s10948-012-1480-x Authors F. Ahmadian, Department of Physics, Shahreza Branch, Islamic Azad University, Shahreza, Iran Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    In order to check the solubility of Zn in the (Sr 1− x Zn x )CoO 3 perovskite structure and their research findings, several polycrystalline samples have been prepared under wide extreme synthesis conditions at 6 GPa/1300–1650 °C. While 0.05≤ x ≤0.3 compositions revealed single phased cubic structure materials, x 〉0.3 showed multi-phased materials for (Sr 1− x Zn x )CoO 3 system. Like other substituted perovskite cobalt oxide systems (Ca, Y, Ho and Ce), the transport properties of the present materials show rather sizable changes with respect to ‘ x ’, although there are insignificant variations in lattice parameter and in Curie temperature, T c . All the present samples show soft ferromagnetism with T c in the range of 272–285 K for 0.05≤ x ≤0.3. The effective paramagnetic moment, P eff determined from the paramagnetic region decreases upon the substitution of Zn for Sr-site. These P eff (3.3–2.8 μ B /Co) values for 0.05≤ x ≤0.3 compositions seem to suggest that the Co 4+ lie in intermediate spin (IS) state for the present (Sr 1− x Zn x )CoO 3 series, although they are slightly smaller than those expected for IS-Co 4+ ; P eff =3.87 μ B /Co. The electrical resistivity is found to increase with increase of ‘ x ’ for the investigated samples. The temperature and field dependence of both positive and negative magnetoresistance (MR) are noted for the Zn substituted samples. About 5% of –MR is observed for x =0.05 sample around the transition temperature (280 K) under the field strength difference, Δ H =90 kOe. The present research findings are compared with our previous results on different perovskite cobalt oxides. Content Type Journal Article Category Original Paper Pages 1-7 DOI 10.1007/s10948-012-1488-2 Authors S. Balamurugan, Advanced Nanomaterials Research Laboratory, Department of Nanotechnology, Noorul Islam Centre for Higher Education, Kumaracoil, Thuckalay, 629 180 Tamilnadu, India Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The sublimation of glycyl-L-α-alanine (Gly-Ala), L-α-alanyl-L-α-alanine (Ala-Ala), and DL-α-alanyl-DL-α-valine (Ala-Val) aliphatic dipeptides is studied by electron ionization mass spectrometry in combination with Knudsen effusion. The temperature range in which substances sublime as monomer molecular forms is determined. Enthalpies of sublimation Δ s H °( T ) are determined for Gly-Ala, Ala-Ala, and Ala-Val. It is shown that the enthalpy of sublimation of dipeptides increases with an increase in the side hydrocarbon radical. The unknown Δ s H °(298) values for 17 amino acids and nine dipeptides are estimated using the proposed “structure-property” correlation model, in which the geometry and electron characteristics of molecules are used as structural descriptors. Content Type Journal Article Category Physical Chemistry of Surface Phenomena Pages 457-462 DOI 10.1134/S0036024412030065 Authors V. G. Badelin, Institute of Chemistry of Solutions, Russian Academy of Sciences, Ivanovo, 153045 Russia E. Yu. Tyunina, Ivanovo State University of Chemical Technology, Ivanovo, 153000 Russia A. V. Krasnov, Ivanovo State University of Chemical Technology, Ivanovo, 153000 Russia V. V. Tyunina, Ivanovo State University of Chemical Technology, Ivanovo, 153000 Russia N. I. Giricheva, Ivanovo State University, Ivanovo, 153025 Russia A. V. Girichev, Ivanovo State University of Chemical Technology, Ivanovo, 153000 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 3

Beschreibung:    The acid-base properties of metal acetylacetonates and chromatographic sorbents on the basis of Chromaton N with deposited combined stationary phases from polyethylene glycol (PEG 20M) and nickel(II) and iron(III) acetylacetonates have been investigated by means of pH measurement and Hammett indicator adsorption. The change of the acid-base state of the surface of Chromaton N depending on the nature of a metal of the modifying additive, the complex structure, and the deposition method has been demonstrated. Content Type Journal Article Category Physical Chemistry of Surface Phenomena Pages 463-467 DOI 10.1134/S0036024412030272 Authors Yu. G. Slizhov, Tomsk State University, Tomsk, 634050 Russia T. N. Matveev, Tomsk State University, Tomsk, 634050 Russia T. S. Minakova, Tomsk State University, Tomsk, 634050 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 3

Beschreibung:    The properties of the porous polymer Dowex L-285, modified by 5-hydroxy-6-methyluracil, are investigated by means of gas chromatography. It is found that the modification leads to a considerable increase in the sorption activity of the porous polymer with respect to both polar and nonpolar molecules. It is shown that each type of cavities in the supramolecular structure of 5-hydroxy-6-methyluracil contributes to the adsorption and thermodynamic properties of the modified adsorbent. Content Type Journal Article Category Physical Chemistry of Separation Processes: Chromatography Pages 475-478 DOI 10.1134/S0036024412030132 Authors V. Yu. Gus’kov, Bashkir State University, Ufa, 450074 Russia S. P. Ivanov, Institute of Organic Chemistry, Ufa Scientific Center, Russian Academy of Sciences, Ufa, 450054 Russia R. A. Khabibullina, Bashkir State University, Ufa, 450074 Russia R. R. Garafutdinov, Institute of Biochemistry and Genetics, Ufa Scientific Center, Russian Academy of Sciences, Ufa, 450054 Russia F. Kh. Kudasheva, Bashkir State University, Ufa, 450074 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 3

Beschreibung:    In this research a new idea for prediction of ultimate sizes of bimetallic nanocomposites synthesized in water-in-oil microemulsion system is proposed. In this method, by modifying Tabor Winterton approximation equation, an effective Hamaker constant was introduced. This effective Hamaker constant was applied in the van der Waals attractive interaction energy. The obtained effective van der Waals interaction energy was used as attractive contribution in the total interaction energy. The modified interaction energy was applied successfully to predict some bimetallic nanoparticles, at different mass fraction, synthesized in microemulsion system of dioctyl sodium sulfosuccinate (AOT)/isooctane. Content Type Journal Article Category Physical Chemistry of Nanoclusters and Nanomaterials Pages 2014-2017 DOI 10.1134/S003602441213002X Authors Alireza Salabat, Department of Chemistry, Faculty of Science, Arak University, P. O. Box 38156-8-8349, Arak, Iran Hassan Saydi, Department of Chemistry, Faculty of Science, Arak University, P. O. Box 38156-8-8349, Arak, Iran Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Beschreibung:    Densities, viscosities, refractive indices and ultrasonic velocities of the binary mixtures of acetophenone with ethyl acetate were measured over the entire mole fractions at 303.15, 313.15, and 323.15 K. From the experimental results, excess molar volumes V E , viscosity deviation Δ η , refractive index deviation Δ n D , deviations in isentropic compressibility Δκ s and excess intermolecular free length Δ L f are calculated. The viscosity values were fitted to the models of Krishnan-Laddha and McAllister. The thermophysical properties under study were fit to the Jouyban-Acree model. The excess values were correlated using Redlich-Kister polynomial equation to obtain their coefficients and standard deviations. The data obtained fitted with the values correlated by the corresponding models very well. The results are interpreted in terms of molecular interactions occurring in the solution. Content Type Journal Article Category Physical Chemistry of Solutions Pages 1947-1952 DOI 10.1134/S0036024412130195 Authors K. Saravanakumar, Department of Chemical Engineering, Sathyabama University, Chennai, 600119 India R. Baskaran, Department of Chemical Engineering, St. Joseph’s College of Engineering, Chennai-119, India T. R. Kubendran, Department of Chemical Engineering, A.C. College of Technology, Anna University, Chennai, 600025 India Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Beschreibung:    The solubilities in the KCl-MgCl 2 -H 2 O system were determined at 50 and 75°C and the phase diagrams and the diagram of refractive index vs composition were plotted. Two invariant point, three univariant curves, and three crystallization zones, corresponding to potassium chloride, hexahydrate (MgCl 2 · 6H 2 O) and double salt (KCl · MgCl 2 · 6H 2 O) showed up in the phase diagrams of the ternary system, The mixing parameters θ K, Ca and Ψ K, Ca, Cl and equilibrium constant K sp were evaluated in KCl-MgCl 2 -H 2 O system by least-squares optimization procedure, in which the single-salt Pitzer parameters of KCl and MgCl 2 β (0) , β (1) , β (2) , and C ϕ were directly calculated from the literature. The results obtained were in good agreement with the experimental data. Content Type Journal Article Category Physical Chemistry of Solutions Pages 1930-1935 DOI 10.1134/S0036024412130146 Authors Ji-min Yang, School of Chemistry & Resources and Environment, Linyi University, Linyi, 276005 China Jing Peng, School of Chemistry & Resources and Environment, Linyi University, Linyi, 276005 China Yu-xia Duan, School of Chemistry & Resources and Environment, Linyi University, Linyi, 276005 China Chong Tian, School of Chemistry & Resources and Environment, Linyi University, Linyi, 276005 China Mei Ping, Experimental Centre, Linyi University, Linyi, 276005 China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Beschreibung:    The insertion reactions of the germylenoid H 2 GeClMgCl with RH (R = F, OH, NH 2 ) have been studied by using the DFT B3LYP and QCISD methods. The geometries of the stationary points on the potential energy surfaces of the reactions were optimized at the B3LYP/6-311+G( d , p ) level of theory. The calculated results indicate that all the mechanisms of the three insertion reactions are identical to each other. The QCISD/6-311++G( d , p )//B3LYP/6-311+G( d , p ) calculated potential energy barriers for the three insertion reactions of R = F, OH, and NH 2 are 164.62, 193.30, and 200.73 kJ mol −1 , and the reaction energies for the three reactions are −57.46, −35.65, and −22.22 kJ mol −1 , respectively. Under the same situation, the insertion reactions should occur easily in the following order H-F 〉 H-OH 〉 H-NH 2 . In THF solvent the insertion reactions get more difficult than in gas phase. Content Type Journal Article Category Structure of Matter and Quantum Chemistry Pages 1969-1973 DOI 10.1134/S0036024412130225 Authors Wen-Zuo Li, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Yu-Wei Pei, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Jian-Bo Cheng, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Qing-Zhong Li, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Bao-An Gong, College of Chemistry and Chemical Engineering, Yantai University, Yantai, 264005 P. R. China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Beschreibung:    The gas-phase reaction of palladium atom with acetone is investigated using density functional theory. Geometries and energies of the reactants, intermediates, and products involved are calculated. Both ground and excited state potential energy surfaces are investigated in detail. The present results show that the title reaction start with the formation of an η 2 -CH 3 COCH 3 -metal complex, followed by C-O, C-H, and C-C activation. These reactions can lead to four different products (PdO + C 3 H 6 , PdCH 2 COCH 3 + H, PdCH 2 + CH 3 CHO, and PdCOCH 2 + CH 4 ). The present results may be helpful in understanding the mechanism of the title reaction and further experimental investigation of the reaction. Content Type Journal Article Category Structure of Matter and Quantum Chemistry Pages 1982-1990 DOI 10.1134/S0036024412130092 Authors Guo-Liang Dai, School of Pharmaceutical and Chemical Engineering, Taizhou University, Linhai, 317000 China Chuan-Feng Wang, School of Pharmaceutical and Chemical Engineering, Taizhou University, Linhai, 317000 China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Beschreibung:    In this paper, biomimetic synthesis of calcium carbonate (CaCO 3 ) in the presence of biomolecules of two vegetables-tomato and capsicum is investigated. Scanning electron microscopy and X-ray powder diffractometry were used to characterize the CaCO 3 obtained. The biomolecules in the extracts of two vegetables are determined by UV-vis or FTIR. The results indicate that a mixture of calcite and vaterite spheres constructed from small particles is produced with the extract of tomato, while aragonite rods or ellipsoids are formed in the presence of extract of capsicum. The possible formation mechanism of the CaCO 3 crystals with tomato biomolecules can be interpreted by particle-aggregation based non-classical crystallization laws. The proteins and/or other biomolecules in tomato and capsicum may control the formation of vaterite and aragonite crystals by adsorbing onto facets of them. Content Type Journal Article Category Biophysical Chemistry Pages 2071-2075 DOI 10.1134/S003602441213016X Authors Long Chen, Department of Chemistry, Huangshan University, Huangshan, 245041 P. R. China Wang-Hua Xu, School of Chemistry and Chemical Engineering, Anqing Teachers College, Anqing, 246011 P. R. China Ying-Guo Zhao, School of Chemistry and Chemical Engineering, Anqing Teachers College, Anqing, 246011 P. R. China Yan Kang, Department of Chemistry, Huangshan University, Huangshan, 245041 P. R. China Shao-Hua Liu, Department of Chemistry, Huangshan University, Huangshan, 245041 P. R. China Zai-Yong Zhang, Department of Chemistry, Huangshan University, Huangshan, 245041 P. R. China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Beschreibung:    The Er 3+ :Y 3 Al 5 O 12 , an upconversion luminescence agent, which is able to transform the visible light to ultraviolet light, was synthesized by nitrate-citric acid method. And then, a novel photocatalyst, Er 3+ :Y 3 Al 5 O 12 /ZnO composites, was prepared by ultrasonic dispersing and liquid boil method. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to characterize the structural morphology and surface properties of the Er 3+ :Y 3 Al 5 O 12 /ZnO. Azo Fuchsine dye was selected as target organic pollutant to inspect the photocatalytic activity of Er 3+ :Y 3 Al 5 O 12 /ZnO. The key parameters affecting the photocatalytic activity of Er 3+ :Y 3 Al 5 O 12 /ZnO, such as Er 3+ :Y 3 Al 5 O 12 content, heat-treatment temperature and heat-treatment time, were studied. In addition, the effects of dye initial concentration, Er 3+ :Y 3 Al 5 O 12 /ZnO amount and solar light irradiation time were also reviewed, as well as the photocatalytic activity in degradation of other organic dyes were compared. It was found that the photocatalytic activity of Er 3+ :Y 3 Al 5 O 12 /ZnO was much superior to pure ZnO under the same conditions. Thus, the Er 3+ :Y 3 Al 5 O 12 /ZnO is a useful photocatalyst for the wastewater treatment because it can efficiently utilize solar light by converting visible light into ultraviolet light. Content Type Journal Article Category Photochemistry and Magnetochemistry Pages 2049-2056 DOI 10.1134/S0036024412130262 Authors L. N. Yin, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Y. Li, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China J. Wang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Y. M. Kong, College of Pharmacy, Liaoning University, Shenyang, 110036 P. R. China Y. Zhai, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China B. X. Wang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China K. Li, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China X. D. Zhang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Beschreibung:    In this work, we report the formation of leaf-like ZnO nanoflakes by anodization of zinc foil in a mixture of ammonium sulfate and sodium hydroxide electrolytes under various applied voltage and concentration of sodium hydroxide. The morphology and structure of ZnO nanoflakes were investigated by field emission scanning electron microscopy, energy-dispersive X-ray spectroscopy and X-ray diffraction analysis. In addition, the photocatalytic activity of the prepared nanoflakes zinc oxide was evaluated in the photodegradation of organic dye methylene blue (MB) solution under UV irradiation. It was found that zinc oxide prepared under high concentration of sodium hydroxide and high voltage showed better performance in the photodegradation of methylene blue. Content Type Journal Article Category Photochemistry and Magnetochemistry Pages 2041-2048 DOI 10.1134/S0036024412130171 Authors Muhammad Akhyar Farrukh, Department of Chemistry, GC University Lahore, Lahore, 54000 Pakistan Chin-Kiat Thong, School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang, Malaysia Rohana Adnan, School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang, Malaysia Mohd Amirrul Kamarulzaman, School of Chemical Sciences, Universiti Sains Malaysia, 11800 Penang, Malaysia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 13

Beschreibung:    The determination of their critical current density in the whole range of the temperature below T c is of first importance to understand the physical processes occurring in superconducting films. We describe here a technique suitable for square films based on the measurement of the magnetic moment due to the currents persisting in the superconductor after the application of a perpendicular high magnetic field. Typically, with a SQUID magnetometer, the measurement time in the whole range of temperature with a 1 K interval is of 2 hours only by this technique. An intriguing aspect of the obtained results is that they are much more accurate if the current lines are supposed to be circular than if we suppose, as suggested by theoretical considerations and magnetooptical observations that they have the sample symmetry. Content Type Journal Article Category Original Paper Pages 1-4 DOI 10.1007/s10948-012-1782-z Authors Conor McLoughlin, CRISMAT-ENSICAEN, UMR-CNRS 6508, 14050 Caen, France Pierre Bernstein, CRISMAT-ENSICAEN, UMR-CNRS 6508, 14050 Caen, France Yohann Thimont, CRISMAT-ENSICAEN, UMR-CNRS 6508, 14050 Caen, France J. Siejka, INSP, UMR-CNRS 7588, 75251 Paris, France Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Isothermal magnetization data in the critical region of the ferromagnetic transition for Co-doped SnO 2 -based diluted magnetic semiconductor were measured and analyzed in terms of the modified Arrott plot method and, independently by the Kouvel–Fisher method. The critical exponents β , γ , and δ , corresponding to spontaneous magnetization, initial susceptibility and isothermal magnetization, respectively, were determined and the values are found to be comparable to the mean-field model. The critical exponent values are found to be consistent with the Widom scaling relation and the universal scaling hypothesis. The temperature variation of the effective critical exponent is found to show the characteristic behavior of a disordered system. Content Type Journal Article Category Original Paper Pages 1-8 DOI 10.1007/s10948-012-1697-8 Authors Sunita Mohanty, Department of Physics, Indian Institute of Technology Guwahati, Guwahati, 781039 India S. Ravi, Department of Physics, Indian Institute of Technology Guwahati, Guwahati, 781039 India Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Multiferroic BiFeO 3 and Cr-doped (0.90)BiFe 1− x Cr x O 3 –(0.10)BaTiO 3 ( x =0.00, 0.03, and 0.05) nanocomposites were prepared by sol–gel method. Optimum calcination and sintering strategies for obtaining pure perovskite phase have been determined. X-ray diffraction and transmission electron microscope (TEM) were used for the structural and particle size analysis, whereas LCR and SQUID magnetometer was used for dielectric and magnetic measurements. TEM measurements show that the average particle sizes of all the samples were ∼19 nm. The dielectric constant was found to be increased twofold in low frequency region with the Cr-doping for x =0.05 in (0.90)BiFe 1− x Cr x O 3 –(0.10)BaTiO 3 . The hysteresis curve ( M – H ) exhibits ferromagnetic nature for all the samples ( x =0.0, 0.03, and 0.05) and the spontaneous magnetization at room temperature was found to be 0.63 emu/gm in pure BiFeO 3 , which increased to 0.99 emu/gm for x =0.05. Zero-field-cooled (ZFC) and field-cooled (FC) magnetization curves show large discrepancy suggesting spin glass behavior. Content Type Journal Article Category Original Paper Pages 1-6 DOI 10.1007/s10948-012-1736-5 Authors Mohit Sahni, Department of Physics, Motilal Nehru National Institute of Technology, Allahabad, India Sushant Singh, Department of Physics, Motilal Nehru National Institute of Technology, Allahabad, India Richa Bhargava, Department of Physics, Motilal Nehru National Institute of Technology, Allahabad, India Amit Kumar Chawla, Institute Instrumentation Centre, IIT Roorkee, Roorkee, India Ramesh Chandra, Institute Instrumentation Centre, IIT Roorkee, Roorkee, India Anshuman Dalvi, Department of Physics, BITS, Pilani, India Neha Gupta, Department of Physics, BITS, Pilani, India Sanjeev Kumar, Dharmsinh Desai University, Gujarat, India Naresh Kumar, Department of Physics, Motilal Nehru National Institute of Technology, Allahabad, India Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Temperature-dependent magnetic flux density ( B ) data, clearly exhibiting a transition temperature called intrinsic blocking temperature for some metallic samples in zero field cooled-warmed (ZFC-W) curves without employing an external magnetic field, has been obtained by a simple method. The reasons of the increase and decrease in the measured B -field at low temperature in zero magnetic-field were discussed. Co, CoPt 3 and Co/Au, CoPt 3 /Au core-shell nanoparticles, prepared by the reverse-micelle microemulsion method, were used as test materials. The blocking temperature was measured at a cusp of the measured magnetic field, B (produced by the sample), versus the temperature curve during warming up of the sample from a very low temperature (≤15 K) to room temperature. All the samples showed a blocking temperature at 45, 50, 40, and 42 K, respectively, for Co, CoPt 3 , Co/Au, and CoPt 3 /Au nanoparticles. A completely intrinsic behavior of the sample’s magnetic moment was revealed by our method since no applied external field was used, yielding a truly spontaneous magnetization behavior. Content Type Journal Article Category Original Paper Pages 1-8 DOI 10.1007/s10948-012-1742-7 Authors Ghazaleh Bahmanrokh, Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia Mansor Hashim, Advanced Materials and Nanotechnology Laboratory, Institute of Advanced Technology, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia Ismayadi Ismail, Advanced Materials and Nanotechnology Laboratory, Institute of Advanced Technology, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia Nayereh Soltani, Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia Parisa Vaziri, Department of Medical Physics and Biomedical Engineering, Shahid Beheshti University of Medical Sciences, Velenjak, Daneshju Blvd., Tehran, 1983963113 Iran Mohd Shamsul Ezzad Shafie, Advanced Materials and Nanotechnology Laboratory, Institute of Advanced Technology, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia Manizheh Navaseri, Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The ethylene glycol-1,4-dioxane system is studied by means of differential scanning calorimetry over a wide range of temperatures (−90 to 25°C) and is found to be a simple eutectic with the eutectic point at 10 mol % of dioxane (−16.5°C). Unlike a water-dioxane system, in which the clathrate with dioxane: H 2 O = 1: 34 ratio is formed, the observed phase diagram showed no evidence of clathrate formation, due presumably to its hydrogen bond geometry and the intermolecular interaction properties of ethylene glycol. Content Type Journal Article Category Short Communications Pages 1745-1746 DOI 10.1134/S0036024412110234 Authors M. N. Rodnikova, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia I. A. Solonina, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia M. R. Kiselev, Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, 119071 Russia S. V. Makaev, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    The solubility of atmospheric oxygen in solutions of surfactants of different natures at 293 K and pH 8 is determined by gas chromatography. It is found that additives of nonionic surfactants decrease the oxygen content in the solution in the premicellar region and increase its solubility in the micellar region. It is shown that, for anionic surfactants, a decrease in the solubility of O 2 is observed over the entire concentration range. Content Type Journal Article Category Short Communications Pages 1753-1755 DOI 10.1134/S0036024412110088 Authors G. V. Chistyakova, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, 153045 Russia S. A. Koksharov, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, 153045 Russia T. V. Vladimirova, Ivenergo, Ivanovo, 153326 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    It was shown that after partial dehydration occurs a simultaneous condensation of four mol of initial monomer Gd(NO 3 ) 3 · 6H 2 O into a tetramer Gd 4 O 4 (NO 3 ) 4 . The heterocycle containing 4 gadolinium atoms gradually loses N 2 O 5 and, through the formation of unstable oxynitrates, is transformed into Gd 2 O 3 . The interatomic distances and angles were calculated using the molecular mechanics method. The comparison of the potential energies of consecutive oxyphosphates permitted an evaluation of their stability. The models of intermediate oxynitrates represent a reasonably good approximation to the real structures and a proper interpretation of experimental data. Content Type Journal Article Category Chemical Kinetics and Catalysis Pages 1659-1663 DOI 10.1134/S0036024412110180 Authors P. P. Melnikov, Federal University of Mato Grosso do Sul/UFMS, Caixa Postal 549, Campo Grande/MS, Brazil V. A. Nascimento, Federal University of Mato Grosso do Sul/UFMS, Caixa Postal 549, Campo Grande/MS, Brazil L. Z. Zanoni Consolo, Federal University of Mato Grosso do Sul/UFMS, Caixa Postal 549, Campo Grande/MS, Brazil Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    A dimensionless complex containing the surface free energy of a crystal-liquid interface γ, and the entropy jump, temperature, and density of a crystal phase is described using the phenomenology of thermodynamic similarity; this complex remains constant at the melting line. It is demonstrated that the complex refines the result obtained by Skripov and Faizullin in [6] and enables us to estimate the temperature dependence of γ. Our calculations show that the surface free energy of the crystal-liquid interface of normally melting compounds is a monotonically increasing function of temperature. Content Type Journal Article Category Short Communications Pages 1763-1765 DOI 10.1134/S0036024412110040 Authors V. G. Baidakov, Institute of Thermal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620016 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    Thermodynamic parameters are determined for the adsorption of vapors of hydrocarbons and polar compounds of different structure on carbon adsorbent modified by a monomolecular layer of heptakis (2,3,6-tri- O -benzoyl)-β-cyclodextrin. The effect of the structure and polarity of organic compounds on adsorption onto an adsorbent support with a chiral macrocyclic modifier are considered. Content Type Journal Article Category Short Communications Pages 1769-1772 DOI 10.1134/S0036024412110155 Authors K. A. Kopytin, Samara State University, Samara, 443011 Russia S. Yu. Kudryashov, Samara State University, Samara, 443011 Russia N. G. Gerasimova, Samara State University, Samara, 443011 Russia L. A. Onuchak, Samara State University, Samara, 443011 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    A thermodynamic variation of the Lindemann criterion for the vaporization of metals is proposed. It is shown that the critical amplitude of vibrations of atoms at the boiling point averages 1.42 bond lengths. Close values of interatomic distances result from the Vinet universal equation for the atomization of metals under the action of high temperatures (1.48) and negative pressures (1.50). The last value corresponds to the Van der Waals distances between metal atoms. Content Type Journal Article Category Short Communications Pages 1759-1762 DOI 10.1134/S0036024412110052 Authors S. S. Batsanov, Institute of Structural Macrokinetics and Problems of Materials Science, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    Samples of composite nanomaterials obtained by the thermal treatment of mixtures of MoO 3 nano-dispersed powder and ultrafine powder of Mo with precipitate from removing iron from groundwater are studied by means of X-ray diffraction and infrared spectroscopy. The structure of these samples (phase composition, average crystallite size, microdistortions (microstresses) of their crystal lattices, and certain texture parameters) are determined. It is suggested that under certain conditions, shells from the nanoparticles of Mo and/or MoO 3 are formed on the surface of sediment particles, preventing the identification of iron-containing phases. Estimates are made of the sorption activity of some materials with respect to carbon monoxide (CO). Content Type Journal Article Category Physical Chemistry of Nanoclusters and Nanomaterials Pages 1689-1696 DOI 10.1134/S0036024412110210 Authors L. Yu. Novoselova, Institute of Petroleum Chemistry, Siberian Branch, Russian Academy of Sciences, Tomsk, 634021 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    A table for determining the first derivatives of thermodynamic parameters is proposed. The table differs from the familiar Suvorov table in that the five dimension parameters are replaced with four dimensionless thermodynamic parameters. Content Type Journal Article Category Short Communications Pages 1747-1750 DOI 10.1134/S003602441211009X Authors V. P. Dobrodeev, Rybinsk State Aviation Technological Academy, Rybinsk, 152934 Russia N. A. Kalyaeva, Rybinsk State Aviation Technological Academy, Rybinsk, 152934 Russia A. V. Dobrodeev, Rybinsk State Aviation Technological Academy, Rybinsk, 152934 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    The conjugated diffusion transport of amino acid and mineral salt through a profiled sulfo group cation exchange membrane that simulates the extraction of amino acid from wash waters of microbiological production containing mineral components not used in synthesis is studied. The competitive nature of the conjugation of flows resulting in a decrease in the rate of the mass transfer of components and their separation factor is established from a comparative analysis of experimental data on the diffusion transfer of phenylalanine and sodium chloride in the form of hydrogen from individual and mixed solutions through a profiled sulfo group cation exchange membrane. The range of concentrations and the ratio of components in solution corresponding to the effective separation of phenylalanine and sodium chloride are determined. Content Type Journal Article Category Physical Chemistry of Separation Processes: Chromatography Pages 1726-1731 DOI 10.1134/S0036024412110271 Authors V. I. Vasil’eva, Voronezh State University, Voronezh, 394006 Russia E. A. Vorob’eva, Voronezh State University, Voronezh, 394006 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 11

Beschreibung:    A systematic investigation was done to determine the structural, morphological and magnetic properties of Zn 0.8 Co 0.2 O nanoparticles synthesized by a simple autocombustion technique. XRD, FE-SEM and EDX measurements were implemented for the structural, morphological and compositional investigation of the product. Additionally VSM was used for the magnetic property investigations of the sample. The average particle size of the nanoparticles was estimated using Debye–Scherrer’s equation and found to be 20.8 nm. Magnetization measurements have shown that the particles have room-temperature ferromagnetic behavior with relatively high coercive fields. Magnetization and the coercive field of the sample increase by decreasing the temperature, as expected. FMR signal confirms the room-temperature enhanced ferromagnetic behavior without Co precipitates. Content Type Journal Article Category Original Paper Pages 1-5 DOI 10.1007/s10948-012-1772-1 Authors Yüksel Köseoğlu, Department of Physics, Fatih University, Buyukcekmece, 34500 Istanbul, Turkey Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    We have examined theoretically the electronic band structure and Fermi surface (FS) of the tetragonal low-temperature superconductor Bi 2 Pd. Our main results are that (i) the Pd 4 d and Bi 6 p states determine the main peculiarities of the multiple-sheet FS topology, thus for this material a complicated superconducting gap structure with different energy gaps on different FS sheets should be assumed; (ii) the effect of spin-orbit coupling is of minor importance for the distributions of the near-Fermi electronic states; and (iii) this phase adopts a 3D-like type owing to directional bonds between the adjacent atomic sheets. Content Type Journal Article Category Letter Pages 1-4 DOI 10.1007/s10948-012-1776-x Authors I. R. Shein, Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg, Russia A. L. Ivanovskii, Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Ekaterinburg, Russia Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The effect of electrolyte pH on structural, magnetic, and magnetoresistive properties of Co–Ni films was studied. The films were deposited on a titanium substrate from the electrolytes with 4.10±0.05, 3.14±0.05, and 2.14±0.05 pH values. The Co–Ni system exhibited anomalous codeposition. Structural analysis indicated that the films had (220) preferential oriented face-centered cubic structure and their surface became smoother as the electrolyte pH decreased. The compositional and magnetic analysis revealed that an increase of the Co content in the films resulted in an increase in saturation magnetization and coercivity. Magnetoresistance curves indicated that the films show anisotropic magnetoresistance. Longitudinal and transversal magnetoresistances were found to be the highest values of 8 % and 7 %, respectively, for the film deposited at a low electrolyte pH. The variation of the Co:Ni ratio in deposits caused by the change of the electrolyte pH has a considerable effect on the properties of the films. Content Type Journal Article Category Original Paper Pages 1-5 DOI 10.1007/s10948-012-1774-z Authors Ali Karpuz, Physics Department, Kamil Ozdag Science Faculty, Karamanoglu Mehmetbey University, Karaman, Turkey Hakan Kockar, Physics Department, Science & Literature Faculty, Balikesir University, Balikesir, Turkey Mursel Alper, Physics Department, Science & Literature Faculty, Uludag University, Bursa, Turkey Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Based on a tight-binding model and a generalized Green’s function method in the Landauer−Büttiker formalism, the current-voltage characteristics, the noise power resulting of the spin-dependent current fluctuations and Fano factor of poly(G)-poly(C) DNA molecule sandwiched between ferromagnetic three-dimensional electrodes (FM/DNA/FM) are numerically investigated. It is found when the bias voltage increased, the current and noise power increase and the Fano factor decreases. Our results show the spin-dependent transport properties are significantly influenced by the electrode/molecule coupling strength so that the reinforcement of the electrode/molecule coupling strength give rise to increasing of the current and noise power so that the Fano factor decreased. Content Type Journal Article Category Original Paper Pages 1-7 DOI 10.1007/s10948-012-1768-x Authors A. Ahmadi Fouladi, Department of Physics, Sari Branch, Islamic Azad University, Sari, Iran S. A. Ketabi, School of Physics, Damghan University, Damghan, Iran Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The present study is focused on the copper-doped ZnO system. Bulk copper-doped ZnO pellets were synthesized by a solid-state reaction technique and used as target material in pulsed laser deposition. Thin films were grown for different Cu doped pellets on sapphire substrates in vacuum (5×10 −5  mbar). Thin films having (002) plane of ZnO showed different oxidation states of dopants. M – H curves exhibited weak ferromagnetic signal for 1–3 % Cu doping but for 5 % Cu doped thin film sample showed the diamagnetic behavior. For deeper information, thin films were grown for 5 % Cu doped ZnO bulk pellet in different oxygen ambient pressures and analyzed. PL measurement at low temperature showed the emission peak in thin films samples due to acceptor-related transitions. XPS results show that copper exists in Cu 2+ and Cu +1 valence states in thin films and with increasing O 2 ambient pressure the valence-band maximum in films shifts towards higher binding energy. Furthermore, in lower oxygen ambient pressure (1×10 −2  mbar) thin films showed magnetic behavior but this vanished for the film grown at higher ambient pressures of oxygen (6×10 −2  mbar), which hints towards the decrease in donor defects. Content Type Journal Article Category Original Paper Pages 1-9 DOI 10.1007/s10948-012-1710-2 Authors S. Karamat, Natural Science and Science Education, National Institute of Education, Nanyang Technological University, Singapore, 637616 Singapore R. S. Rawat, Natural Science and Science Education, National Institute of Education, Nanyang Technological University, Singapore, 637616 Singapore T. L. Tan, Natural Science and Science Education, National Institute of Education, Nanyang Technological University, Singapore, 637616 Singapore P. Lee, Natural Science and Science Education, National Institute of Education, Nanyang Technological University, Singapore, 637616 Singapore S. V. Springham, Natural Science and Science Education, National Institute of Education, Nanyang Technological University, Singapore, 637616 Singapore Anis-ur-Rehman, Department of Physics, COMSATS Institute of Information Technology, 22060 Islamabad, Pakistan R. Chen, Division of Physics and Applied Physics, School of Physical & Mathematical Sciences, Nanyang Technological University, Singapore, 637371 Singapore H. D. Sun, Division of Physics and Applied Physics, School of Physical & Mathematical Sciences, Nanyang Technological University, Singapore, 637371 Singapore Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Spray pyrolysis was used to deposit MgO films on polycrystalline 321-austentic stainless steel substrates using magnesium nitrates and magnesium acetates as precursors. The MgO films deposited from the nitrate precursors were amorphous; however, MgO (200) oriented films were obtained when the acetates precursors were used. The texture of the films was improved with increasing the concentration and the deposition temperature. To evaluate the performance of the MgO buffers, PLD was used to deposit YBCO on MgO-buffered 321 substrates. Only the smoothest MgO films were found as good buffers for the deposition of c -axis oriented YBCO films. The superconducting transition temperature was broad and the T C onset was 83.6 K. Austenitic 321 steel is an alternative for C276 as a substrate for thin film deposition. Content Type Journal Article Category Original Paper Pages 1-8 DOI 10.1007/s10948-012-1740-9 Authors Shadi Al-Khateeb, Department of Materials Engineering, Al-Balqa’ Applied University, Al-Salt, 19117 Jordan D. Pavlopoulos, School of Metallurgy and Materials, University of Birmingham, Birmingham, B15 2TT UK T. W. Button, School of Metallurgy and Materials, University of Birmingham, Birmingham, B15 2TT UK J. S. Abell, School of Metallurgy and Materials, University of Birmingham, Birmingham, B15 2TT UK Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Coherent passage of Cooper pairs in a Josephson junction (JJ) above the liquid nitrogen temperature has been the first impressive revolutionary effect induced by high critical temperature superconductors (HTS) in the domain of the study of Josephson effect (JE). But this has been only the start. A  d -wave order parameter has lead to significant novel insights in the physics of the JE turning into a device the notion of a π -junction. Spontaneous currents in a frustrated geometry, Andreev bound states, long-range proximity effect have rapidly become standard terms in the study of the JE, standing as a reference bench for conventional systems based on low critical temperature superconductors (LTS) and inspiring analogies for junctions based on novel superconductors discovered in the meantime. The extreme richness of the physics of HTS JJs has not been adequately supported by the expected impact in the applications, the main reason lying in the complexity of these materials and in the consequent unsatisfactory yield and reproducibility of the performances of the JJs within the required limits. The continuous progress in material science, and specifically in the realization of oxide multi-layers, and in nanotechnologies applied to superconductors, accompanied by the advances in a better understanding of the properties of HTS and of HTS devices, has as a matter of fact opened possible novel scenarios and interest in the field. We intend to give a brief overview on interesting new problems concerning HTS JJs of inspiration also for other systems. We also review some ideas and experimental techniques on macroscopic quantum decay phenomena occurring in Josephson structures. The attention is mainly addressed to intermediate levels of dissipation, which characterize a large majority of low critical current Josephson devices and are therefore an unavoidable consequence of nanotechnology applied more and more to Josephson devices. Content Type Journal Article Category Review Article Pages 1-21 DOI 10.1007/s10948-012-1773-0 Authors Francesco Tafuri, Dip. di Ingegneria dell’Informazione, Seconda Università degli Studi di Napoli, via Roma 29, 81031 Aversa (Ce), Italy Davide Massarotti, CNR-SPIN, Complesso Universitario di Monte S. Angelo, 80126 Napoli, Italy Luca Galletti, CNR-SPIN, Complesso Universitario di Monte S. Angelo, 80126 Napoli, Italy Daniela Stornaiuolo, CNR-SPIN, Complesso Universitario di Monte S. Angelo, 80126 Napoli, Italy Domenico Montemurro, NEST-Scuola Normale Superiore and Istituto Nanoscienze–CNR, Piazza San Silvestro 12, 56127 Pisa, Italy Luigi Longobardi, Dip. di Ingegneria dell’Informazione, Seconda Università degli Studi di Napoli, via Roma 29, 81031 Aversa (Ce), Italy Procolo Lucignano, Dip. Scienze Fisiche, Università di Napoli Federico II, Complesso Universitario di Monte S. Angelo, 80126 Napoli, Italy Giacomo Rotoli, Dip. di Ingegneria dell’Informazione, Seconda Università degli Studi di Napoli, via Roma 29, 81031 Aversa (Ce), Italy Giovanni Piero Pepe, CNR-SPIN, Complesso Universitario di Monte S. Angelo, 80126 Napoli, Italy Arturo Tagliacozzo, CNR-SPIN, Complesso Universitario di Monte S. Angelo, 80126 Napoli, Italy Floriana Lombardi, Dept. of Microtechnology and Nanoscience, Chalmers University of Technology, 41296 Göteborg, Sweden Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    Nanosized strontium hexaferrite (SrFe 12 O 19 ) has been synthesized by citrate, urea, oxalic, and glycine precursor via a sol-gel route with poly(methyl methacrylate) (PMMA) as a templating agent. Crystal structure, morphology, and magnetic properties of as-synthesized nanoparticles were characterized by XRD, SEM, FT-IR, and VSM techniques. The formation of strontium hexaferrite and its crystallite size in presence of different fuels were compared. The influence of different fuels was reflected on the phase purity, morphology of the final powders as well as the magnetic properties. Magnetic measurements revealed that samples prepared by citric acid and glycine as fuel have high specific saturation magnetization and moderate coercivity, while urea and oxalic acid fuels resulted in low phase purity, and thus inferior magnetic properties. Content Type Journal Article Category Original Paper Pages 1-7 DOI 10.1007/s10948-012-1538-9 Authors Z. Durmus, Department of Chemistry, Fatih University, B. Cekmece, Istanbul, 34500 Turkey H. Sozeri, TUBITAK-UME, National Metrology Institute, PO Box 54, Gebze, Kocaeli 41700, Turkey M. S. Toprak, Functional Materials Division, KTH Royal Institute of Technology, 16440 Stockholm, Sweden A. Baykal, Department of Chemistry, Fatih University, B. Cekmece, Istanbul, 34500 Turkey Journal Journal of Superconductivity and Novel Magnetism Online ISSN 1557-1947 Print ISSN 1557-1939

Beschreibung:    The kinetic principles of sorption of formaldehyde sorption on a polyfunctional weak-basic anion exchanger are considered. It is found that the limiting step of sorbate uptake is external diffusion. Parameters of formaldehyde sorption from aqueous solutions under dynamic conditions are determined. Content Type Journal Article Category Short Communications Pages 884-885 DOI 10.1134/S0036024412050354 Authors I. V. Voronyuk, Voronezh State University, Voronezh, Russia T. V. Eliseeva, Voronezh State University, Voronezh, Russia V. F. Selemenev, Voronezh State University, Voronezh, Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The kinetics of tin oxidation was studied using Auger spectroscopy and characteristic electron energy loss spectroscopy. Studies were performed with continuous electron irradiation ( E p = 1800 eV) and without it depending on exposition in oxygen medium at a 10 −6 torr partial oxygen pressure and room temperature (maximum exposure in oxygen was 3000 Langmuir). Exposition to oxygen at 3000 L was shown to cause the formation of a continuous SnO 2 oxide layer, whereas electron irradiation with the same exposition stimulated the growth of a layer predominantly containing SnO. Content Type Journal Article Category Chemical Kinetics and Catalysis Pages 752-756 DOI 10.1134/S0036024412050032 Authors O. G. Ashkhotov, Kabardino-Balkar State University, ul. Chernyshevskogo 173, Nalchik, 360004 Russia I. B. Ashkhotova, Kabardino-Balkar State University, ul. Chernyshevskogo 173, Nalchik, 360004 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    A 16-constant additive scheme was derived for calculating the physicochemical properties of saturated monoalcohols CH 4 O-C 9 H 20 O and decomposing the triangular numbers of the Pascal triangle based on the similarity of subgraphs in the molecular graphs (MGs) of the homologous series of these alcohols. It was shown, using this scheme for calculation of properties of saturated monoalcohols as an example, that each coefficient of the scheme (in other words, the number of methods to impose a chain of a definite length i 1 , i 2 , … on a molecular graph) is the result of the decomposition of the triangular numbers of the Pascal triangle. A linear dependence was found within the adopted classification of structural elements. Sixteen parameters of the schemes were recorded as linear combinations of 17 parameters. The enthalpies of vaporization L 298 K 0 of the saturated monoalcohols CH 4 O-C 9 H 20 O, for which there were no experimental data, were calculated. It was shown that the parameters are not chosen randomly when using the given procedure for constructing an additive scheme by decomposing the triangular numbers of the Pascal triangle. Content Type Journal Article Category Chemical Thermodynamics and Thermochemistry Pages 736-740 DOI 10.1134/S0036024412050123 Authors V. V. Grebeshkov, Tver State University, Tver, Russia V. M. Smolyakov, Tver State University, Tver, Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    Calorimetric measurements were performed and the heat effects of sorption of ammonium ions from aqueous solutions by the M 45 K 20 natural sorbent and its acid- and alkali-activated forms were calculated. Content Type Journal Article Category Physical Chemistry of Surface Phenomena Pages 849-851 DOI 10.1134/S0036024412050214 Authors Ly Tkhi Ien, Voronezh State University, Universitetskaya pl. 1, Voronezh, 394893 Russia V. Yu. Khokhlov, Voronezh State University, Universitetskaya pl. 1, Voronezh, 394893 Russia L. P. Bondareva, Voronezh State Technological Academy, pr. Revolyutsii 19, Voronezh, 394017 Russia L. I. Bel’chinskaya, Voronezh Forestry Engineering Academy, Voronezh, Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    Peculiarities of the chromatographic behavior of adamantylamidrazones and adamantyltriazoles on octadecyl silica gel and hypercrosslinked polystyrenes in the conditions of reverse phase high performance chromatography are investigated. A comparative analysis of the effect of structures and physicochemical characteristics of sorbate molecules on the Gibbs free energy of sorption for the investigated sorbates is performed. Content Type Journal Article Category Physical Chemistry of Separation Processes: Chromatography Pages 852-859 DOI 10.1134/S0036024412050299 Authors S. V. Prokopov, Samara State University, Samara, 443011 Russia S. V. Kurbatova, Samara State University, Samara, 443011 Russia V. A. Davankov, Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, 119991 Russia M. A. Il’in, Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, 119991 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The adsorption of methane on MN-200 and MN-270 polymer adsorbents, and on active carbon D4609, is investigated in the pressure range of 0.1–40 MPa at temperatures of 303, 323, 343, 373 K. Adsorption volumes are determined for these adsorption systems, and the isosteric heats of adsorption are calculated. Based on our investigations, we consider the possibility of storing methane in the adsorbed state in containers and the efficiency of the approach relative to gas storage in containers without adsorbents. Recommendations on selecting an adsorbent for methane storage are given, and one possible way of increasing the amount of stored gas is described. Content Type Journal Article Category Physical Chemistry of Surface Phenomena Pages 837-842 DOI 10.1134/S0036024412050287 Authors A. A. Pribylov, Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, 119991 Russia I. A. Kalinnikova, Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, 119991 Russia L. G. Shekhovtsova, Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, 119991 Russia V. A. Davankov, Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, 119991 Russia M. P. Tsyurupa, Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, 119991 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    Our study using the nonlocal density functional theory (NDFT) showed that active coals might have a bidisperse microporous structure. The binomial equation of the theory of volume filling of micropores (TVFM) approximates well the nitrogen adsorption isotherms at relative pressures from 1 × 10 −4 to 0.2. The dominant micropore sizes calculated in terms of the characteristic adsorption energy lie in the region of the maximum of the size distribution of micropores calculated by the NDFT method. The tentative micropore sizes can be determined from the modified second term of the TVFM equation. The Henry and BET equations describe very limited regions of the nitrogen adsorption isotherm on microporous active coals. Content Type Journal Article Category Physical Chemistry of Surface Phenomena Pages 843-848 DOI 10.1134/S0036024412050147 Authors R. I. Ibragimova, St. Petersburg State University of Technology and Design, St. Petersburg, Russia S. F. Grebennikov, St. Petersburg State University of Technology and Design, St. Petersburg, Russia V. V. Gur’yanov, OAO Neorganika, Elektrostal, Russia N. V. Vorob’ev-Desyatovskii, ZAO Polymetal Engineering, St. Petersburg, Russia S. A. Kubyshkin, St. Petersburg State University of Technology and Design, St. Petersburg, Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    In this research work, the effect of solvent on the size of paltinum nanoparticles synthesized by microemulsion method was investigated. Platinum nanoparticles have been prepared by the reduction of H 2 PtCl 6 with hydrazine in water-in-oil (w/o) microemulsions consisting of sodium bis(2-ethylhexyl) sulfo-succinate (AOT) and solvents n -hexane, cyclohexane and n -nonane. The size of the platinum nanoparticles was measured using transmission electron microscopy (TEM). It was verified that, for reduction of H 2 PtCl 6 by hydrazine in microemulsion with different organic solvents, the solvents are arranged by their influence on nanoparticle sizes as follows: n -nonane 〉 cyclohexane 〉 n -hexane. Content Type Journal Article Category Short Communications Pages 881-883 DOI 10.1134/S0036024412050020 Authors Alireza Salabat, Department of Chemistry, Arak University, Arak, 38156-8-8349 Iran Mina Rahmati Far, Department of Chemistry, Arak University, Arak, 38156-8-8349 Iran Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The enthalpy of reaction of metallic calcium with perchloric acid was measured for the first time in a sealed swinging calorimeter equipped with an isothermal shell. Standard enthalpies of formation of calcium ion in an infinitely diluted aqueous solution (−542.8 ± 1.0 kJ/mol) and calcium chloride in crystal state (−794.9 ± 1.0 kJ/mol) were calculated according to the results obtained with the use of published data. Content Type Journal Article Category Short Communications Pages 886-888 DOI 10.1134/S0036024412050251 Authors A. S. Monaenkova, Department of Chemistry, Moscow State University, Moscow, 119991 Russia L. A. Tiflova, Department of Chemistry, Moscow State University, Moscow, 119991 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    Molecular masses of the complexes that form upon the reaction of (2- p Tolylindenyl) 2 ZrMe 2 with AlBu 3 i in toluene at room temperature were determined by means of electrospray mass spectrometry. It was determined that zirconium is arranged between two dimeric clusters with the monozirconium cation (L 2 ZrBu i + · HAlBu 3 i − ) 2 and dizirconium cation {[L 2 ZrBu i (μ-CH 3 )Bu i ZrL 2 ] + · HAlBu 3 i − } 2 in these complexes. Content Type Journal Article Category Short Communications Pages 875-877 DOI 10.1134/S003602441205010X Authors Z. M. Dzhabieva, Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432 Russia S. V. Topilin, Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432 Russia T. S. Dzhabiev, Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The thermodynamic equilibrium in the carbon dioxide conversion of methane is studied by Gibbs energy minimization. The curves that represent the dependences of the degree of coke formation, the content of methane and carbon dioxide in syngas, and the syngas module on the CO 2 /CH 4 mole ratio in the initial mixture and on temperature at various pressures, are plotted. The regions in which the CO 2 /CH 4 mole ratio is optimal for carbon dioxide conversion and no coke formation occurs, and which are characterized by a minimal content of methane and carbon dioxide in syngas, are revealed. Content Type Journal Article Category Chemical Thermodynamics and Thermochemistry Pages 741-746 DOI 10.1134/S0036024412050305 Authors O. N. Protasov, United Research and Development Centre, Moscow, 119333 Russia N. A. Mamonov, United Research and Development Centre, Moscow, 119333 Russia M. N. Mikhailov, United Research and Development Centre, Moscow, 119333 Russia L. M. Kustov, Zelinskii Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The water-dimethyl sulfoxide (DMSO) system was studied by means of static light scattering in the concentration range of 0 to 60 mol % DMSO at 20 and 50°C. In the concentration range of 10 mol % DMSO, an abnormal maximum of scattered light was detected, the intensity of which decreases with an increase of temperature. The formation of this maximum is related to hydrophobic effects in the system under study and the existence of an unattainable critical point of delayering. Temperature inversion of light scattering intensity was detected at ∼14 mol % DMSO; at higher concentrations of DMSO, the intensity at 50°C is notably higher than at 20°C (due to the increase in the concentration’s degree of fluctuation upon an increase in temperature); at 60 mol % DMSO, intensities of scattered light at 20 and 50°C almost coincide. The apparent molar volumes of DMSO in solutions were calculated from the published data on density in the temperature range of 5 to 50°C. The minima of these values from 10 to 15 mol % DMSO (i.e., in the range of the abnormal maximum of scattered light) were obtained. The manifestation of hydrophobic effects in aqueous solutions of amphiphilic molecules is explained using the example of the DMSO-H 2 O system. Content Type Journal Article Category Short Communications Pages 892-894 DOI 10.1134/S0036024412050317 Authors M. N. Rodnikova, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 117901 Russia Yu. A. Zakharova, Department of Chemistry, Moscow State University, Moscow, 119991 Russia I. A. Solonina, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 117901 Russia D. A. Sirotkin, Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, 117901 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    A correlation is found between the proton spin-spin relaxation times in gold nanocomposites based on arabinogalactan in aqueous solutions and the maximum conducting layer thicknesses of films cast from solutions of composites. The obtained correlation is considered from the viewpoint of electrization’s effect on the mobility of macromolecules of the investigated polymer nanocomposites. The dependence of arabinogalactan mobility on the type of solvent (H 2 O or D 2 O) is established, and a conclusion is drawn as to the effect of the hydrogen bonds of arabinogalactan with solvent on polymer mobility in solutions. Content Type Journal Article Category Physical Chemistry of Nanoclusters and Nanomaterials Pages 812-815 DOI 10.1134/S0036024412050263 Authors M. N. Nikolaeva, Institute of Macromolecular Compounds, Russian Academy of Sciences, St. Petersburg, 199004 Russia G. P. Aleksandrova, Favorsky Institute of Chemistry, Irkutsk, 664033 Russia A. A. Martynenkov, Institute of Macromolecular Compounds, Russian Academy of Sciences, St. Petersburg, 199004 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    Heterogeneous photocatalytic removal of Rhodamine-B (RhB) dye from liquid phase was done using mixed-phase nanocrystalline TiO 2 for enhancement of charge separation and UV-visible-light-driven photocatalysis capabilities. The mixed-phase nanocrystalline TiO 2 was characterized using various analytical techniques including XRD, TEM, UV-vis DRS and PL to investigate its phase composition and structure, nanocrystalline size distribution, band gap energy, and photoluminescence properties. The photocatalytic discoloration efficiency of mixed-phase nanocrystalline titania was explored by monitoring the decomposition of RhB dye in an aqueous solution. The results showed that the as-prepared mixed-phase nanocrystalline TiO 2 was excellent for degradation of RhB molecule, and the combination of crystal phase of anatase and rutile has great effect on decomposition of RhB. The kinetic studies demonstrate that the photocatalytic oxidation reaction followed a pseudo-first-order expression due to the evidence of linear correlation between ln( c/c 0 ) vs. reaction time t . Moreover, the aqueous RhB dye decomposition over the as-prepared mixed-phase nanocrystalline TiO 2 catalyst is controlled by RhB pre-adsorption. Content Type Journal Article Category Physical Chemistry of Nanoclusters and Nanomaterials Pages 805-811 DOI 10.1134/S0036024412050081 Authors Dongfang Zhang, College of Science, Huazhong Agricultural University, Hongshan, 430070 P.R. China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    A method for the construction of additive models for calculations of the properties of substitution isomers of basis structures is described for the example of a series of X-substituted methylsilanes CH 3 − k X k -SiH 3 − l X l (where X = CH 3 , F, Cl, …, k, l = 0, 1, 2, 3). The method is based on similarity of subgraphs in graphs of several molecules and the arrangement of polygonal numbers (triangular, tetrahedral) of the Pascal triangle. Parameters taking into account multiple nonvalence interactions (-C-Si〈, 〉C-Si〈, …) through two atoms along the molecular chain of an X-substituted methylsilane (X = CH 3 ) were for the first time explicitly included in the calculation scheme. Taking these interactions into account allows us to completely differentiate all the structural isomers of certain molecules and obtain numerical parameter values for predicting properties P under consideration in various approximations. Numerical calculations of Δ f H g,298 K o were performed for 16 alkylsilanes (as X-substituted methylsilanes), including 7 compounds not studied experimentally. Content Type Journal Article Category Chemical Thermodynamics and Thermochemistry Pages 729-735 DOI 10.1134/S0036024412050275 Authors D. Yu. Nilov, Tver State University, Sadovyi per. 35, Tver, 170002 Russia V. M. Smolyakov, Tver State University, Sadovyi per. 35, Tver, 170002 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The temperature dependence of the heat capacity C p o = f ( T ) 2 of 2-ethylhexyl acrylate was studied in an adiabatic vacuum calorimeter over the temperature range 6–350 K. Measurement errors were mainly of 0.2%. Glass formation and vitreous state parameters were determined. An isothermic shell calorimeter with a static bomb was used to measure the energy of combustion of 2-ethylhexyl acrylate. The experimental data were used to calculate the standard thermodynamic functions C p o ( T ), H o ( T )- H o (0), S o ( T )- S o (0), and G o ( T )- H o (0) of the compound in the vitreous and liquid states over the temperature range from T → 0 to 350 K, the standard enthalpies of combustion Δ c H o , and the thermodynamic characteristics of formation Δ f H o , Δ f S o , and Δ f G o at 298.15 K and p = 0.1 MPa. Content Type Journal Article Category Chemical Thermodynamics and Thermochemistry Pages 747-751 DOI 10.1134/S0036024412050172 Authors T. G. Kulagina, Research Institute of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23/5, Nizhni Novgorod, 603600 Russia Ya. S. Samosudova, Research Institute of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23/5, Nizhni Novgorod, 603600 Russia I. A. Letyanina, Research Institute of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23/5, Nizhni Novgorod, 603600 Russia E. V. Sevast’yanov, Research Institute of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23/5, Nizhni Novgorod, 603600 Russia N. N. Smirnova, Research Institute of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23/5, Nizhni Novgorod, 603600 Russia L. A. Smirnova, Research Institute of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23/5, Nizhni Novgorod, 603600 Russia A. E. Mochalova, Research Institute of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23/5, Nizhni Novgorod, 603600 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    Ethambutol (EMB) is a bacteriostatic antimycobacterial drug prescribed to treat tuberculosis. It is bacteriostatic against actively growing TB bacilli. The density and viscosity of aqueous ethambutol hydrochloride solutions have been studied at 298.15, 301.15 and 304.15 K and at different concentrations (0.255, 0.168, 0.128, 0.087, 0.041, and 0.023 mol dm −3 ). The apparent molar volume of these solutions for different temperatures and concentrations was calculated from the density data. The relative viscosities of drug solutions have been analysed by Jones-Dole equation. The limiting apparent molar volumes have been evaluated for different temperatures. The different properties have been used to study structural properties, structure formation and breaking properties of drug and solute-solvent interactions in solutions. Content Type Journal Article Category Physical Chemistry of Solutions Pages 775-778 DOI 10.1134/S003602441205007X Authors S. D. Deosarkar, School of Chemical Sciences, Swami Ramanand Teerth Marathwada University, Nanded, 431 606 MS, India A. L. Puyad, School of Chemical Sciences, Swami Ramanand Teerth Marathwada University, Nanded, 431 606 MS, India T. M. Kalyankar, India School of Pharmacy, Swami Ramanand Teerth Marathwada University, Nanded, 431 606 MS, India Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    It is shown by means of direct spectrophotometry in the UV and visible ranges that the only product of the O 3 reaction with Cl − (aq) in an acidic medium is molecular chlorine Cl 2 ; in solutions, it is in equilibrium with the complex ion Cl 3 − . It is found that the consumption of one ozone molecule corresponds to the formation of one chlorine molecule. The stoichiometric equation for the reaction is obtained. Content Type Journal Article Category Chemical Kinetics and Catalysis Pages 757-762 DOI 10.1134/S0036024412050202 Authors A. V. Levanov, Faculty of Chemistry, Moscow State University, Moscow, 119991 Russia I. V. Kuskov, Faculty of Chemistry, Moscow State University, Moscow, 119991 Russia E. E. Antipenko, Faculty of Chemistry, Moscow State University, Moscow, 119991 Russia V. V. Lunin, Faculty of Chemistry, Moscow State University, Moscow, 119991 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The solubility of fullerene C 60 in tetraline-carbon tetrachloride and tetraline-1,2-dichlorobenzene systems in all compositions of the mixed solvent are measured in the temperature range of 298.15–338.15 K. It is found that in a mixture of tetraline with 1,2-dichlorobenzene, the solubility of C 60 is considerably higher than in its pure components; in this case, solubility has a maximum in the range of lower temperatures and compositions of the mixture X trl = 0.3–0.5. It is established that C 60 forms crystal solvates with components of the mixed solvents. Enthalpies and temperatures of incongruent melting of the crystal solvates are determined by differential scanning calorimetry. Content Type Journal Article Category Chemical Thermodynamics and Thermochemistry Pages 715-719 DOI 10.1134/S0036024412050160 Authors A. M. Kolker, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, 153045 Russia A. V. Kozlov, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, 153045 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The behavior of crystalline tetraalkylammonium salts at 290–350 K was studied by differential scanning calorimetry. For tetraethyl- and tetrabutylammonium bromides (Et 4 NBr and Bu 4 NBr), the experimental heat capacities agreed well with the literature values. For tetrahexyl-, tetraheptyl-, and tetraoctylam-monium bromides (Hex 4 NBr, Hep 4 NBr, and Oct 4 NBr), phase transitions were found between crystal modifications whose characteristic temperatures depended significantly on the size of the cation. Empirical equations for the temperature dependences of the heat capacities of the salts within the ranges of homogeneous equilibrium phases were derived. Content Type Journal Article Category Short Communications Pages 878-880 DOI 10.1134/S0036024412050226 Authors N. G. Manin, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, Russia A. V. Kustov, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, Russia O. A. Antonova, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, Ivanovo, Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    Geometrical structures, Hammett constants, 1 H and 13 C chemical shift values, molecular electrostatic potential maps, and several thermodynamic parameters of α-acyloxy carboxamide derivatives ( 4a – o ) were calculated using HF and DFT/B3LYP methods with 6-31G( d ) basis set. The optimized structures were compared with analogous compound. The 1 H and 13 C NMR shielding tensors were computed with the Gauge-Independent Atomic Orbital (GIAO) method. Comparison of the experimental 1 H and 13 C NMR chemical shifts of 4a – o molecules with the theoretical data indicates good agreement. Content Type Journal Article Category Structure of Matter and Quantum Chemistry Pages 791-797 DOI 10.1134/S0036024412050111 Authors Esmail Vessally, Miyaneh Branch, Islamic Azad University, Miyaneh, Iran Ladan Edjlali, Department of Chemistry, Tabriz Branch, Islamic Azad University, Tabriz, Iran Maryam Saber, Department of Chemistry, Tabriz Branch, Islamic Azad University, Tabriz, Iran Soma Aryana, Payame Noor University, Zanjan, Iran Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    Experimental values of the mean polarizability of molecules, , and components of the Lorentz tensor, L j , in the nematic and smectic A phases are obtained for a homologous series of n -alkyl- p -(4-ethoxybenzylideneamino)-α-methylcinnamates. Dependences of the and L j values on the mesophase temperature, the orientational order parameter S of molecules, and the number n in the homologous series are revealed. The quadratic dependence of ( S ) in the nematic and smectic phases is established that is invariant with respect to the nematic-smectic A transition. Polarizability densities of the molecular core and the alkyl chain are found from the monotone decreasing dependence ( n )/ v (where v is volume per one molecule) in the smectic phase. The presence (or absence) of the odd-even alternation of L j ( n ) in the nematic (smectic) phase is shown. A monotone decrease in the Lorentz tensor anisotropy L with an increase in n is revealed in the smectic phase, and limiting values L j ( n → ∞) are determined. Content Type Journal Article Category Chemical Thermodynamics and Thermochemistry Pages 720-728 DOI 10.1134/S0036024412050044 Authors E. M. Aver’yanov, Kirenskiy Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The possibility of the formation of the H 2 O 2 +· cation-radical was determined according to the data from nonempirical calculations for liquid trifluoroacetic acid, which forms a hydroperoxide radical after deprotonation. A catalytic cycle was obtained in which CF 3 COOH serves as a catalyst in the oxidation of a substrate by dissolved molecular oxygen. Content Type Journal Article Category Short Communications Pages 889-891 DOI 10.1134/S0036024412050342 Authors M. V. Vishnetskaya, Gubkin State University of Petroleum and Gas, Moscow, 119991 Russia M. S. Ivanova, Gubkin State University of Petroleum and Gas, Moscow, 119991 Russia V. N. Solkan, Zelinskii Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia G. M. Zhidomirov, Zelinskii Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, 119991 Russia M. Ya. Mel’nikov, Department of Chemistry, Moscow State University, Moscow, 119991 Russia Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    The mechanism of the reaction of osmium atom with acetaldehyde has been investigated with a DFT approach. All the stationary points are determined at the UB3LYP/ sdd /6-311++G** level of the theory. Both ground and excited state potential energy surfaces are investigated in detail. The present results show that the title reaction start with the formation of a CH 3 CHO-metal complex followed by C-C, aldehyde C-H, C-O, and methyl C-H activation. These reactions can lead to four different products (HOsCH 3 + CO, OsCO + CH 4 , OsCOCH 3 + H, and OsO + C 2 H 4 ). The minimum energy reaction path is found to involve the spin inversion in the initial reaction step. This potential energy curve-crossing dramatically affects reaction exothermic. The present results may be helpful in understanding the mechanism of the title reaction and further experimental investigation of the reaction. Content Type Journal Article Category Structure of Matter and Quantum Chemistry Pages 798-804 DOI 10.1134/S0036024412050135 Authors Guo-Liang Dai, School of Pharmaceutical and Chemical Engineering, Taizhou University, Linhai, 317000 China Chuan-Feng Wang, School of Pharmaceutical and Chemical Engineering, Taizhou University, Linhai, 317000 China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5

Beschreibung:    In previous work, it was found that the bovine serum albumin (BSA) could obviously be damaged by nano-sized TiO 2 powder as a sonocatalyst under ultrasonic irradiation. In this work, metronidazole (MTZ) was adopted as a sensitizer to intensify the damage of BSA molecules. It was found that the damage degree of BSA molecules in the presence of MTZ was more serious than in the absence of MTZ. That is, under ultrasonic irradiation combined with nano-sized TiO 2 powder, the addition of MTZ could remarkably aggravate the damage to BSA molecules. Meanwhile, the damage degree was also affected by some influence factors, such as ultrasonic irradiation time, ultrasonic irradiation power, MTZ concentration, solution acidity, ionic strength and solution temperature. In addition, the damage site of BSA molecules was also estimated by synchronous fluorescence spectra. It was found that the damage site of BSA molecules was mainly at tyrosine (Tyr) residue. Content Type Journal Article Category Photochemistry and Magnetochemistry Pages 867-874 DOI 10.1134/S0036024412050366 Authors J. Wang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Z. G. Wang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China X. D. Jin, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Y. W. Guo, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China J. Q. Gao, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China K. Li, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China B. X. Wang, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Y. Li, College of Chemistry, Liaoning University, Shenyang, 110036 P. R. China Journal Russian Journal of Physical Chemistry A, Focus on Chemistry Online ISSN 1531-863X Print ISSN 0036-0244 Journal Volume Volume 86 Journal Issue Volume 86, Number 5