Synthesis and Magnetic Characteristics of Neodymium Ferrite Powders with Perovskite Structure

Russian Journal of Applied Chemistry - Nanopowders of neodymium ferrite with perovskite structure were synthesized by co-precipitation precipitation via hydrolysis of iron(III) and neodymium(III)...     

Chemical constituents from the leaves of Manglietia phuthoensis and their effects on osteoblastic MC3T3-E1 cells

Two new phenyl glycosides, mangliesides A and B (1, 2), a new ionol glycoside, manglieside C (3), two new lignan glycosides, mangliesides D and E (4, 5), were isolated from the leaves of Manglietia phuthoensis, along with two known lignans, 3-methoxymagnolol (6) and obovatol (7). Their structures were established by means of 1D and 2D NMR, electrospray ionization (ESI)-MS and HR-ESI-MS experiments. Among them, compounds 2 and 5 significantly (p<0.05) increased the growth and differentiation of osteoblastic MC3T3-E1 cells in vitro.     

A comparative relativistic DFT and ab initio study on the structure and thermodynamics of the oxofluorides of uranium(IV), (V) and (VI)

All the possible uranium(VI, V, IV) oxides, fluorides and oxofluorides were studied theoretically by using density functional theory (DFT) in the generalised gradient approximation (GGA), and three different relativistic methods (all-electron scalar four component Dyall RESC method (AE), relativistic small-core ECPs, and zeroth order regular approximation ZORA). In order to test different correlation methods, for the two former relativistic methods hybrid DFT, and, for the AE method, MP2 molecular orbital calculations were performed as well. Single-point AE-CCSD(T) energies were calculated on MP2 geometries as well. Energies of the uranium(VI) and (V) oxofluorides dissociation, uranium(VI) fluoride hydrolysis and oxofluoride disproportionation were calculated and compared against the available experimental thermochemical data. AE-CCSD(T) energies were the closest to the experiment. For GGA DFT methods, all the relativistic methods used yield similar results. For thermochemistry, the best quantitative agreement with the experimental and CCSD(T) values for both U=O and U-F bond strengths was obtained with hybrid DFT methods, provided that a reliable basis set was used. Both the GGA DFT and MP2 MO methods show overbinding of these bonds; moreover, this overbinding was found to be not uniform but strongly dependent on the coordination environment of the uranium atom in each case. U=O vibrational frequencies given by hybrid DFT, however, are systematically overestimated, and are better reproduced by GGA DFT; MP2 values usually fall in-between. Reaction enthalpies, U=O frequencies and complex geometries given by the PBE, MPBE, BPBE, BLYP and OLYP GGA functionals are quite similar, with OLYP performing slightly better than the others but still not as good as hybrid DFT. The geometries of the molecules are found to be influenced by the following factors: the inverse transinfluence (ITI) of the oxygen ligand and, for U(V), and U(IV), the Jahn-Teller distortion.     

Crystal structure of cis-[Ru(bpy)2{PMe(o-tol)2}Cl+][ClO−4]: Steric effects in some PMen(o-tol)3−n (n = 1-3) derivatives of ruthenium(II)

The complex cis-[Ru(bpy)₂{PMe(o-tol)₂}Cl⁺][ClO^– ₄] crystallizes in space group P2₁/c witha = 9.375(2) Å, b = 22.019(7) Å, c = 16.153(4) Å, = 90.83(2)°, V = 3333.9(16) ų and D(calc'd) = 1.547 g/cm³ for Z = 4. The Ru-PMe(o-tol)₂ bond length of 2.357(3) Å is significantly longer than distances of Ru-PMe₂(o-tol) = 2.324(2) Å and Ru-PMe₃ = 2.310(2) Å in analogous complexes. The corresponding Ru-P(o-tol)₃ complex has eluded synthesis, probably due to steric hindrance.     

Thin-Film Zinc/Manganese Dioxide Electrodes

Summary.  Thin-film electrodes allow the manufacturing of flat batteries of variable design. Their electric performance is better than that of customary cells because of a larger contact area between anode and cathode and better utilization of the electrochemically active materials. Bipolar thin-film electrodes for the rechargeable alkaline zinc/manganese dioxide system were assembled using graphite-filled plastics (high-density polyethylene and polyisobutylene). In a different approach, extremely thin electrodes were obtained using 25 μm thick foils made of non-conductive micro-porous polypropylene. The electroactive materials were electrolytically deposited into the pores of the previously metallized foil, providing the required conductive connection through the plastic matrix by themselves. Cycle behavior, cumulated capacities, and energies of batteries with up to two bipolar units were measured. At this early stage of development, batteries based on graphite-filled polymer foils showed better results with regard to storage capacity per unit area and to cycle life. Prototypes based on micro-porous polypropylene suffered from the relatively small fraction of pore volume available for the deposition of active material (about 38%) and from current collector corrosion. Received May 30, 2000. Accepted December 18, 2000