2-(4-Methylsulfanylphenyl)-1H-benzimidazol-3-ium bromide

In the cation of the title compound, C14H13N2S+center dot Br-, the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 angstrom) is substituted with a 4-methylsulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methylsulfanylphenyl ring is 2.133 (2)degrees. The crystal structure is characterized by strong and highly directional intermolecular N-H center dot center dot center dot Br hydrogen bonds involving the bromide ion. Moreover, C-H center dot center dot center dot S interactions result in chains of molecules along the c axis. The supramolecular assembly is further stabilized by pi-pi stacking interactions between the benzimidazole system and 4-methylsulfanylphenyl rings centroid-centroid distance = 3.477 (4) angstrom].

Effect of substitution of Y on the structural, magnetic, and thermal properties of hexagonal DyMnO3 single crystals

We investigate the structural, magnetic, and specific heat behavior of the hexagonal manganite Dy0.5Y0.5MnO3 in order to understand the effect of dilution of Dy magnetism with nonmagnetic yttrium. In this compound, the triangular Mn lattice orders antiferromagnetic at T-N(Mn) approximate to 68 K observed experimentally in the derivative of magnetic susceptibility as well as in specific heat. In addition, a low-temperature peak at T-N(Dy) similar to 3 K is observed in specific heat which is attributed to rare earth order. The T-N(Mn) increases by 9 K compared to that of hexagonal (h) DyMnO3 while T-N(Dy) is unchanged. A change in slope of thermal evolution of lattice parameters is observed to occur at temperature close to T-N(Mn). This hints at strong magnetoelastic coupling in this geometric multiferroic. In magnetization measurements, steplike features are observed when the magnetic field is applied along the c axis which shift to higher fields with temperature and vanish completely above 40 K. The presence of different magnetic phases at low temperature and strong magnetoelastic effects can lead to such field-induced transitions which resemble metamagnetic transitions. This indicates the possibility of strong field-induced effects in dielectric properties of this material, which is unexplored to date.

Study of the reaction between 1,2,3-trihydroxybenzene and 8-hydroxyquinoline in the solid state

1.2,3-Trihydroxybenzene (THB) reacts with 8-hydroxyquinoline (8HQ) in the solid state forming an orange-coloured charge transfer complex THB* (8HQ)(2). When the reaction was carried out in a petri dish, or when the vapours of 8HQ were allowed to react with solid THB (gravimetric study), the reaction product separated out as good quality, shiny single crystals. X-Ray diffraction studies on single crystals showed that they belong to the orthorhombic system with a = 15.408(1), b = 16.276(1), c = 7.825(1) Angstrom, Z = 4, D-x = 1.413 g cm(-3) and space group Pnaa. From the crystallographic evidence it has been found that the proton of the middle OH group of THB is transferred to the N atom of 8HQ. This accounts for the observed colour change. Kinetic studies on the solid state reaction showed that the 8HQ molecules diffuse towards THB, and the lateral diffusion occurs through surface migration, grain boundary diffusion and vapour phase diffusion. Gravimetric studies of the reaction between solid THB and 8HQ vapour showed that the diffusion of 8HQ molecules into the crystal lattice of THB has a higher energy of activation than that observed when the reactants are in contact. The nature of the crystal packing in the reaction product indicates diffusion of 8HQ molecules into the crystal lattice of THB along the c-axis, to occupy the cavities present between the THB molecules in the unit cell.

Analysis of texture evolution in pure magnesium and the magnesium alloy AM30 during rod and tube extrusion

The evolution of microstructure and texture during extrusion of pure magnesium and its single phase alloy AM30 has been studied experimentally as well as by crystal plasticity simulation. Microstructure and micro-texture were characterized by electron back scattered diffraction (EBSD), bulk-texture was measured using X-ray diffraction and deformation texture simulations were carried out using visco-plastic self consistent (VPSC) model. In spite of clear indications of the occurrence of dynamic recrystallization (DRX), simulations were able to reproduce the experimental textures successfully. This was attributed to the fact that the textures were c-type fibers with their axis of rotation parallel to the c-axis and DRX leads to simply rotate the texture around the c-axis. (C) 2011 Elsevier B.V. All rights reserved.

Oriented ferroelectric thin films of PbTiO3, (Pb,La)TiO3, and Pb(Zr,Ti)O3 by nebulized spray pyrolysis

Nebulized spray pyrolysis provides a good low?temperature chemical route for preparing thin films of PbTiO3, (Pb0.9,La0.1)TiO3 and Pb(Zr0.52,Ti0.48)O3. The films are a? or c? axis oriented, with spherical grains of ?30 nm and give satisfactory P?E hysteresis loops. © 1995 American Institute of Physics.

Surface resistance and residual losses of Ag?doped YBa2Cu3O7?? thin films on sapphire

High?quality Ag?doped YBa2Cu3O7?? thin films have been grown by laser ablation on R?plane ?1102? sapphire without any buffer layer. Thin films have been found to be highly c?axis oriented with Tc=90 K, transition width ?T?1 K, and transport Jc=1.2×106 A?cm?2 at 77 K in self?field conditions. The microwave surface resistance of these films measured on patterned microstrip resonators has been found to be 530 ?? at 10 GHz at 77 K which is the lowest reported on unbuffered sapphire. Improved in?plane epitaxy and reduced reaction rate between the substrate and the film caused due to Ag in the film are believed to be responsible for this greatly improved microwave surface resistance. © 1995 American Institute of Physics.

LaNiO3: a promising material for contact with YBa2 Cu3O7-x thin films

Epitaxial LaNiO3 metallic oxide thin films have been grown on c-axis oriented YBa2Cu3O7-delta thin films on LaAlO3 substrates by pulsed laser deposition technique and the interface formed between the two films has been examined by measuring the contact conductance of the same. The specific contact conductance of the interface measured using a modified four probe method was found to be 1.4 to 6 x 10(4) ohm(-1) cm(-2) at 77 K, There are indications that contact conductance can be brought closer to that obtained for noble metal-YBCO interface.

Superconducting YBa2Cu3O7-delta thick films on Ba2RETaO6 (RE=Pr, Nd, Eu, and Dy) substrates

Thick films of YBa2Cu3O7-delta fabricated on polycrystalline Ba2RETaO6 (where RE= Pr, Nd, Eu, and Dy) substrates by dip-coating and partial melting techniques are textured and c-axis oriented, showing predominantly (00l) orientation. All the thick films show a superconducting zero resistance transition of 90 K. SEM studies clearly indicate platelike and needlelike grain growth over a wide area of the thick films. The values of the critical current density for these thick films are similar to 10(4) A/cm(2) at 77 K as determined by the nonresonant R.F. absorption method. Various processing conditions that affect the critical current density of thick films are also discussed.

A[Bi3Ti4O13] and A[Bi3PbTi5O16] (A = K, Cs): New n=4 and n=5 members of the layered perovskite series, A[A ' n-1B nO3n+1], and their hydrates

We describe the synthesis and structural characterization of new layered bismuth titanates, A[Bi3Ti4O13] and A[Bi3PbTi5O16]for A = K, Cs, corresponding to n = 4 and 5 members of the Dion-Jacobson series of layered perovskites of the general formula, A[A'n-1BnO3n+1]. These materials have been prepared by solid state reaction of the constituents containing excess alkali, which is required to suppress the formation of competitive Aurivillius phases. Unlike the isostructural niobates and niobium titanates of the same series, the new phases reported here are spontaneously hydrated-a feature which could make them potentially useful as photocatalysts for water splitting reaction. On hydration of the potassium compounds, the c axis expands by ca. 2 Angstrom and loses its doubling [for example, the tetragonal lattice parameters of K[Bi3Ti4O13] and its dihydrate are respectively a = 3900(1)Angstrom c 37.57(2) Angstrom; a 3.885(1) Angstrom, c = 20.82(4) Angstrom]; surprisingly, the cesium analogues do not show a similar change on hydration.

N-3-benzoyl-2 ',3 '-di-O-benzoyluridine

The structure of N-3-benzoyl-2',3'-di-O-benzoyluridine, C30H24N2O9, has two molecules in the asymmetric unit. The uracil bases of both the molecules are in the anti conformation with respect to the ribose moiety and the furanosyl rings adopt a C3'-endo conformation. The orientation about the C4'-C5' bond is gauche-gauche. The two crystallographically independent molecules are linked through several C-H ... O hydrogen bonds. The nucleoside molecules pack as columns along the a axis and these columns repeat along the c axis.

Synthesis of acicular hydrogoethite (alpha-FeOOH center dot xH(2)O; 0.1 < x < 0.22) particles using morphology controlling cationic additives and magnetic properties of maghemite derived from hydrogoethite

A method for the preparation of acicular hydrogoethite (alpha -FeOOH.xH(2)O, 0.1 < x < 0.22) particles of 0.3-1 mm length has been optimized by air oxidation of Fe( II) hydroxide gel precipitated from aqueous (NH4)(2)Fe(SO4)(2) solutions containing 0.005-0.02 atom% of cationic Pt, Pd or Rh additives as morphology controlling agents. Hydrogoethite particles are evolved from the amorphous ferrous hydroxide gel by heterogeneous nucleation and growth. Preferential adsorption of additives on certain crystallographic planes thereby retarding the growth in the perpendicular direction, allows the particles to acquire acicular shapes with high aspect ratios of 8-15. Synthetic hydrogoethite showed a mass loss of about 14% at similar to 280 degreesC, revealing the presence of strongly coordinated water of hydration in the interior of the goethite crystallites. As evident from IR spectra, excess H2O molecules (0.1- 0.22 per formula unit) are located in the strands of channels formed in between the double ribbons of FeO6 octahedra running parallel to the c- axis. Hydrogoethite particles constituted of multicrystallites are formed with Pt as additive, whereas single crystallite particles are obtained with Pd (or Rh). For both dehydroxylation as well as H-2 reduction, a lower reaction temperature (similar to 220 degreesC) was observed for the former (Pt treated) compared to the latter (Pd or Rh) (similar to 260 degreesC). Acicular magnetite (Fe3O4) was prepared either by reducing hydrogoethite (magnetite route) or dehydroxylating hydrogoethite to hematite and then reducing it to magnetite (hematite- magnetite route). According to TEM studies, preferential dehydroxylation of hydrogoethite along < 010 > leads to microporous hematite. Maghemite (gamma -Fe2O3 (-) (delta), 0 < < 0.25) was obtained by reoxidation of magnetite. The micropores are retained during the topotactic transformation to magnetite and finally to maghemite, whereas cylindrical mesopores are formed due to rearrangement of the oxygen sublattice from hexagonal to cubic close packing during the conversion of hydrogoethite to magnetite and then to maghemite. Accordingly, three different types of maghemite particles are realized: strongly oriented multicrystalline particles, single crystalline acicular particles with micropores or crystallites having mesopores. Higher values of saturation magnetization ((s) = 74 emu g(-1)) and coercivity (H-c = 320 Oe) are obtained for single crystalline mesoporous particles. In the other cases, the smaller size of particles and larger distribution of micropores decreases sigma (s) considerably ( < 60 emu g(-1)) due to relaxation effects of spins on the surface atoms as revealed by Mossbauer spectroscopy.

Study of pulsed laser ablated CaBi2Ta2O9 thin films

Polycrystalline CaBi2Ta2O9 thin films were grown on Pt/TiO2/SiO2/Si (100) substrates using a pulsed laser deposition technique. The influence of substrate temperature and oxygen pressure on crystallization and orientation of the films was studied. In-situ films deposited under a combination of higher substrate temperature and lower oxygen pressure exhibited a preferred c-axis orientation. Micro-Raman spectroscopy was used for complete understanding of phase evolution of CBT films. Thin films deposited at higher substrate temperatures showed larger grain size and higher surface roughness, observed by atomic force microscopy. The values of maximum polarization (2Pmnot, vert, similar13.4 μC/cm2), remanent polarization (2Prnot, vert, similar4.6 μC/cm2) and the coercive field Ec was about 112 kV/cm obtained for the film deposited at 650°C and annealed at 750°C. The room temperature, dielectric data revealed a dependence on the grain size.

Calcium ruthenates: Determination of Gibbs energies of formation using electrochemical cells

Metallic Ru has been found to coexist separately with CaO, RuO2, and the interoxide phases, Ca2RuO4, Ca3Ru2O7, and CaRuO3, present along the pseudobinary system CaO-RuO2. The standard Gibbs energies of formation (Df((ox))G(o)) of the three calcium ruthenates from their component oxides have been measured in the temperature range 925-1350 K using solid-state cells with yttria-stabilized zirconia as the electrolyte and Ru+RuO2 as the reference electrode. The standard Gibbs energies of formation (Deltaf((ox))G(o)) of the compounds can be represented by Ca2RuO4:Deltaf((ox))G(o)/J mol(-1)=-38,340-6.611 T (+/-120), Ca3Ru2O7 : Df((ox))G(o)/J mol(-1)=-75,910-11.26 T (+/-180), and CaRuO3 : Deltaf((ox))G(o)/J mol(-1)=-35,480-3.844 T(+/-70). The data for Ca2RuO4 corresponds to the stoichiometric composition, which has an orthorhombic structure, space group Pbca, with short c axis ("S'' form). The structural features of the ternary oxides responsible for their mild entropy stabilization are discussed. A three-dimensional oxygen potential diagram for the system Ca-Ru-O is developed as a function of composition and temperature from the results obtained. Using the Neumann-Kopp rule to estimate the heat capacity of the ternary oxides relative to their constituent binary oxides, the standard enthalpies of formation of the three calcium ruthenates from the elements and their standard entropies at 298.15 K are evaluated. (C) 2003 The Electrochemical Society.

Epitaxial LaNiO3 thin films: A normal metal barrier for SNS junction

Epitaxial LaNiO3 thin films have been grown on SrTiO3 and several other substrates by pulsed laser deposition. The films are observed to be metallic down to 15 K, and the temperature dependence of resistivity is similar to that of bulk LaNiO3. Epitaxial, c-axis oriented YBa2Cu3O7-x films with good superconducting properties have been grown on the LaNiO3 (100) films. I-V characteristics of the YBa2Cu3O7-x-LaNiO3 junction are linear, indicating ohmic contact between them.

Fabrication of Yy‐Pr1‐y ‐Ba‐Cu‐O Thin Films and Superlattices of ‐Ba‐Cu‐O/Yy‐Pr1‐y ‐Ba‐Cu‐O

We have prepared epitaxial thin films of Yy‐Pr1‐y‐Ba‐Cu‐O (y= 1 to 0) and superlattices of Y‐Ba‐Cu‐O/Yy‐Pr1‐y ‐Ba‐Cu‐O using pulsed laser deposition technique. The zero resistance transition temperatures of Yy‐Pr1‐y‐Ba‐Cu‐O bulk samples are reproduced in the films. The composition oscillations in the superlattices are observed by SIMS. The films and superlattices are found to have c‐axis orientations and good crystallinity.